N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine

C17H28N2 — CID 104737396

IUPACN-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)CC1Cc1cccnc1
InChIInChI=1S/C17H28N2/c1-3-8-18-13-16-7-6-14(2)10-17(16)11-15-5-4-9-19-12-15/h4-5,9,12,14,16-18H,3,6-8,10-11,13H2,1-2H3
InChIKeyKCJCCEUANSVDAE-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.68
Rot. Bonds6

About N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine

N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 104737396) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID104737396
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)CC1Cc1cccnc1
InChIInChI=1S/C17H28N2/c1-3-8-18-13-16-7-6-14(2)10-17(16)11-15-5-4-9-19-12-15/h4-5,9,12,14,16-18H,3,6-8,10-11,13H2,1-2H3
InChIKeyKCJCCEUANSVDAE-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.68
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-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 104737410
N-[(2-benzylcyclopropyl)methyl]propan-1-amine
CID 62708370
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
CID 63265124
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031502
N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 104737416
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 105376317
N-[(4-propan-2-yl-2-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 81029849
trans-(2R,4R)-4-methyl-2-(pyridin-3-ylmethyl)cyclohexan-1-one
CID 124511943

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine (CID 104737396) is N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C)CC1Cc1cccnc1.
What is the InChIKey of N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is KCJCCEUANSVDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-8-18-13-16-7-6-14(2)10-17(16)11-15-5-4-9-19-12-15/h4-5,9,12,14,16-18H,3,6-8,10-11,13H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 104737396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).