N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine

C16H26N2 — CID 81027779

IUPACN-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1Cc1ccccn1
InChIInChI=1S/C16H26N2/c1-2-10-17-13-15-8-4-3-7-14(15)12-16-9-5-6-11-18-16/h5-6,9,11,14-15,17H,2-4,7-8,10,12-13H2,1H3
InChIKeyMFJHHOYAPGPXOA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.43
Rot. Bonds6

About N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine

N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81027779) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81027779
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1Cc1ccccn1
InChIInChI=1S/C16H26N2/c1-2-10-17-13-15-8-4-3-7-14(15)12-16-9-5-6-11-18-16/h5-6,9,11,14-15,17H,2-4,7-8,10,12-13H2,1H3
InChIKeyMFJHHOYAPGPXOA-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81026825
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
N-[[2-[(2,6-dichlorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027643
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025478
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479
2-(cyclohexylmethyl)pyridine
CID 14762660

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine (CID 81027779) is N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1Cc1ccccn1.
What is the InChIKey of N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is MFJHHOYAPGPXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-10-17-13-15-8-4-3-7-14(15)12-16-9-5-6-11-18-16/h5-6,9,11,14-15,17H,2-4,7-8,10,12-13H2,1H3.
What are the key properties of N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81027779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).