N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine

C16H30N2 — CID 79409085

IUPACN-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)N1CCCC2CCCC21
InChIInChI=1S/C16H30N2/c1-12(11-17-15-8-9-15)13(2)18-10-4-6-14-5-3-7-16(14)18/h12-17H,3-11H2,1-2H3
InChIKeyUMVVBYRYEZXZRM-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine

N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine (PubChem CID 79409085) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine
PubChem CID79409085
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)N1CCCC2CCCC21
InChIInChI=1S/C16H30N2/c1-12(11-17-15-8-9-15)13(2)18-10-4-6-14-5-3-7-16(14)18/h12-17H,3-11H2,1-2H3
InChIKeyUMVVBYRYEZXZRM-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine with MolForge

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81011984
N-[2-(2-cyclopentylpyrrolidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62431505
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine
CID 83055066
N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408489
N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butan-2-ol
CID 65320344
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102726031
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpentan-3-amine
CID 102726022
N,2-dimethyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415038
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine
CID 65322633
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propyl]-3-methylbutan-1-amine
CID 65322443
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102728580

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine (CID 79409085) is N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)N1CCCC2CCCC21.
What is the InChIKey of N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine?
The InChIKey is UMVVBYRYEZXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12(11-17-15-8-9-15)13(2)18-10-4-6-14-5-3-7-16(14)18/h12-17H,3-11H2,1-2H3.
What are the key properties of N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine?
N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79409085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).