N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine

C16H30N4 — CID 62610534

IUPACN-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)Cc1cnn(C)c1
InChIInChI=1S/C16H30N4/c1-4-17-16-9-7-5-6-8-15(16)13-19(2)11-14-10-18-20(3)12-14/h10,12,15-17H,4-9,11,13H2,1-3H3
InChIKeyCCXIIUQILPSADS-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds6

About N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine

N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine (PubChem CID 62610534) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
PubChem CID62610534
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)Cc1cnn(C)c1
InChIInChI=1S/C16H30N4/c1-4-17-16-9-7-5-6-8-15(16)13-19(2)11-14-10-18-20(3)12-14/h10,12,15-17H,4-9,11,13H2,1-3H3
InChIKeyCCXIIUQILPSADS-UHFFFAOYSA-N
XLogP2.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
CID 62610535
N-ethyl-2,2-dimethyl-6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79842887
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
CID 62610200
1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104745255
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine (CID 62610534) is N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine is CCNC1CCCCCC1CN(C)Cc1cnn(C)c1.
What is the InChIKey of N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine?
The InChIKey is CCXIIUQILPSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-17-16-9-7-5-6-8-15(16)13-19(2)11-14-10-18-20(3)12-14/h10,12,15-17H,4-9,11,13H2,1-3H3.
What are the key properties of N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine?
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62610534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).