1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine

C18H30N2 — CID 105034440

IUPAC1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1cccnc1)CC1CCCCCC1
InChIInChI=1S/C18H30N2/c1-2-11-20-18(14-17-10-7-12-19-15-17)13-16-8-5-3-4-6-9-16/h7,10,12,15-16,18,20H,2-6,8-9,11,13-14H2,1H3
InChIKeyWNEYFMURNUEWAK-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.35
Rot. Bonds7

About 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine

1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 105034440) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
PubChem CID105034440
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCNC(Cc1cccnc1)CC1CCCCCC1
InChIInChI=1S/C18H30N2/c1-2-11-20-18(14-17-10-7-12-19-15-17)13-16-8-5-3-4-6-9-16/h7,10,12,15-16,18,20H,2-6,8-9,11,13-14H2,1H3
InChIKeyWNEYFMURNUEWAK-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827
N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736387
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
(1-cyclohexyl-4-pyridin-3-ylbutan-2-yl)hydrazine
CID 105296236
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine (CID 105034440) is 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine is CCCNC(Cc1cccnc1)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is WNEYFMURNUEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-11-20-18(14-17-10-7-12-19-15-17)13-16-8-5-3-4-6-9-16/h7,10,12,15-16,18,20H,2-6,8-9,11,13-14H2,1H3.
What are the key properties of 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine?
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 105034440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).