2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine

C14H29N3 — CID 79867057

IUPAC2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
SMILESCN1CCCN(CC2CCC(C)(C)C2N)CC1
InChIInChI=1S/C14H29N3/c1-14(2)6-5-12(13(14)15)11-17-8-4-7-16(3)9-10-17/h12-13H,4-11,15H2,1-3H3
InChIKeyIDOSLLGFKGGNQB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.39
Rot. Bonds2

About 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine

2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine (PubChem CID 79867057) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
PubChem CID79867057
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
SMILESCN1CCCN(CC2CCC(C)(C)C2N)CC1
InChIInChI=1S/C14H29N3/c1-14(2)6-5-12(13(14)15)11-17-8-4-7-16(3)9-10-17/h12-13H,4-11,15H2,1-3H3
InChIKeyIDOSLLGFKGGNQB-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isopropyl-3-azabicyclo[3.2.1]octan-8-amine
CID 18541023
rac-(5aR,8aS)-1,5a-dimethyl-decahydrocyclopenta(e)(1,4)diazepine
CID 165998476
1-(2,2-Dimethylcyclopentyl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372086
1-(3,3-Dimethylcyclopentyl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372149
1-(2-Methylcyclopentyl)-6-(trifluoromethyl)-1,4-diazepane
CID 113808361
(5aR,8aR)-1-methyl-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[e][1,4]diazepine
CID 178190447
3-Methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 18541072
(1R,5S)-3-(propan-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
CID 39871856
(1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine
CID 39871869
3-Ethyl-3-azabicyclo[3.2.1]octan-8-amine
CID 43810968
(1R,5S,8S)-3-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 52271630
1-Methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70146001

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine (CID 79867057) is 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine is CN1CCCN(CC2CCC(C)(C)C2N)CC1.
What is the InChIKey of 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is IDOSLLGFKGGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2)6-5-12(13(14)15)11-17-8-4-7-16(3)9-10-17/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79867057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).