N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine

C38H80N10 — CID 158114456

IUPACN,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine
SMILESCCN1CC2CC1CN2.CCN1CC2CC1CN2C.CCN1CCCN(C)CC1.CCN1CCN(C)CC1.CNC1CC2CCC1N2C
InChIInChI=1S/2C8H16N2.C8H18N2.C7H14N2.C7H16N2/c1-9-7-5-6-3-4-8(7)10(6)2;1-3-10-6-7-4-8(10)5-9(7)2;1-3-10-6-4-5-9(2)7-8-10;1-2-9-5-6-3-7(9)4-8-6;1-3-9-6-4-8(2)5-7-9/h6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H2,1-2H3;6-8H,2-5H2,1H3;3-7H2,1-2H3
InChIKeyFQVCYBWFOUDALM-UHFFFAOYSA-N
MW677.13 g/mol
LogP1.79
Rot. Bonds5

About N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine

N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine (PubChem CID 158114456) has the molecular formula C38H80N10 and a molecular weight of 677.13 g/mol. Its IUPAC name is N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine.

Molecular Properties

Compound NameN,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine
PubChem CID158114456
Molecular FormulaC38H80N10
Molecular Weight677.13 g/mol
Exact Mass676.66
IUPAC NameN,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine
SMILESCCN1CC2CC1CN2.CCN1CC2CC1CN2C.CCN1CCCN(C)CC1.CCN1CCN(C)CC1.CNC1CC2CCC1N2C
InChIInChI=1S/2C8H16N2.C8H18N2.C7H14N2.C7H16N2/c1-9-7-5-6-3-4-8(7)10(6)2;1-3-10-6-7-4-8(10)5-9(7)2;1-3-10-6-4-5-9(2)7-8-10;1-2-9-5-6-3-7(9)4-8-6;1-3-9-6-4-8(2)5-7-9/h6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H2,1-2H3;6-8H,2-5H2,1H3;3-7H2,1-2H3
InChIKeyFQVCYBWFOUDALM-UHFFFAOYSA-N
XLogP1.79
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500677.13
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine?
The IUPAC name of N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine (CID 158114456) is N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine.
What is the SMILES notation for N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine?
The canonical SMILES for N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine is CCN1CC2CC1CN2.CCN1CC2CC1CN2C.CCN1CCCN(C)CC1.CCN1CCN(C)CC1.CNC1CC2CCC1N2C.
What is the InChIKey of N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine?
The InChIKey is FQVCYBWFOUDALM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.C8H18N2.C7H14N2.C7H16N2/c1-9-7-5-6-3-4-8(7)10(6)2;1-3-10-6-7-4-8(10)5-9(7)2;1-3-10-6-4-5-9(2)7-8-10;1-2-9-5-6-3-7(9)4-8-6;1-3-9-6-4-8(2)5-7-9/h6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H2,1-2H3;6-8H,2-5H2,1H3;3-7H2,1-2H3.
What are the key properties of N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine?
N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine has a molecular weight of 677.13 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-7-azabicyclo[2.2.1]heptan-2-amine;2-ethyl-2,5-diazabicyclo[2.2.1]heptane;2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-methyl-1,4-diazepane;1-ethyl-4-methylpiperazine is sourced from PubChem (CID 158114456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).