4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine

C16H26N2 — CID 65087684

IUPAC4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(NCc2ccncc2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)15-4-3-5-16(7-6-15)18-12-14-8-10-17-11-9-14/h8-11,13,15-16,18H,3-7,12H2,1-2H3
InChIKeyOBTISFOQSSBSLO-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.78
Rot. Bonds4

About 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine

4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine (PubChem CID 65087684) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
PubChem CID65087684
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(NCc2ccncc2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)15-4-3-5-16(7-6-15)18-12-14-8-10-17-11-9-14/h8-11,13,15-16,18H,3-7,12H2,1-2H3
InChIKeyOBTISFOQSSBSLO-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 103753143
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 129374539
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448832
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine (CID 65087684) is 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine is CC(C)C1CCCC(NCc2ccncc2)CC1.
What is the InChIKey of 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine?
The InChIKey is OBTISFOQSSBSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-4-3-5-16(7-6-15)18-12-14-8-10-17-11-9-14/h8-11,13,15-16,18H,3-7,12H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine?
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65087684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).