1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine

C14H30N4 — CID 171904768

IUPAC1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine
SMILESCC1CNC(C)(C(C)(C)N2CCNCC(N)C2)C1
InChIInChI=1S/C14H30N4/c1-11-7-14(4,17-8-11)13(2,3)18-6-5-16-9-12(15)10-18/h11-12,16-17H,5-10,15H2,1-4H3
InChIKeyBINLOIMGJJSLNQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.39
Rot. Bonds2

About 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine

1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine (PubChem CID 171904768) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine
PubChem CID171904768
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine
SMILESCC1CNC(C)(C(C)(C)N2CCNCC(N)C2)C1
InChIInChI=1S/C14H30N4/c1-11-7-14(4,17-8-11)13(2,3)18-6-5-16-9-12(15)10-18/h11-12,16-17H,5-10,15H2,1-4H3
InChIKeyBINLOIMGJJSLNQ-UHFFFAOYSA-N
XLogP0.39
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[7-(Fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium
CID 163667439
(8R)-9-(2-fluoroethyl)-8-methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-d][1,4]diazepine
CID 173768726
6-Ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
CID 105435253
8-Fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
CID 105442285
6-Tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
CID 105453103
4-[2,2-Dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]azepane
CID 114272031
4-Fluoro-4-methyl-1-pyrrolidin-3-ylazepane
CID 115022039
4-Fluoro-4-methyl-1-(pyrrolidin-2-ylmethyl)azepane
CID 115028855
7-Methyl-3,9-diazabicyclo[4.2.1]nonane
CID 19908227
N,N,2,2,3,4,5,5-octamethylpyrrolidin-3-amine
CID 20680896
2,2,4,4,7-Pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 20683174
1,2,2-Triethylpyrrolidin-3-amine
CID 25131250

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine?
The IUPAC name of 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine (CID 171904768) is 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine.
What is the SMILES notation for 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine?
The canonical SMILES for 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine is CC1CNC(C)(C(C)(C)N2CCNCC(N)C2)C1.
What is the InChIKey of 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine?
The InChIKey is BINLOIMGJJSLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-11-7-14(4,17-8-11)13(2,3)18-6-5-16-9-12(15)10-18/h11-12,16-17H,5-10,15H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine?
1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine has a molecular weight of 254.42 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylpyrrolidin-2-yl)propan-2-yl]-1,4-diazepan-6-amine is sourced from PubChem (CID 171904768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).