N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

C18H30N2 — CID 105151322

IUPACN-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)C1CCCCC1CC
InChIInChI=1S/C18H30N2/c1-4-10-20-18(16-11-14(3)12-19-13-16)17-9-7-6-8-15(17)5-2/h11-13,15,17-18,20H,4-10H2,1-3H3
InChIKeyRHHSYJNLYGQXGC-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.65
Rot. Bonds6

About N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105151322) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID105151322
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)C1CCCCC1CC
InChIInChI=1S/C18H30N2/c1-4-10-20-18(16-11-14(3)12-19-13-16)17-9-7-6-8-15(17)5-2/h11-13,15,17-18,20H,4-10H2,1-3H3
InChIKeyRHHSYJNLYGQXGC-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374362
N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433
(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methanamine
CID 105151254
N-[(2-ethylcyclohexyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105151161
N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862665
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
N-[(2-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952354
N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106857704
N-[(2-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531056
N-[(5-methyloxolan-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023309
N-[(2-ethylcyclohexyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63861308
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 105151132

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (CID 105151322) is N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(C)c1)C1CCCCC1CC.
What is the InChIKey of N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is RHHSYJNLYGQXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-10-20-18(16-11-14(3)12-19-13-16)17-9-7-6-8-15(17)5-2/h11-13,15,17-18,20H,4-10H2,1-3H3.
What are the key properties of N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105151322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).