(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine

C17H28N2O2 — CID 116766241

IUPAC(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(N)C2(OC)CCC(C)CC2)c1
InChIInChI=1S/C17H28N2O2/c1-4-9-21-15-10-14(11-19-12-15)16(18)17(20-3)7-5-13(2)6-8-17/h10-13,16H,4-9,18H2,1-3H3
InChIKeyNLVHCBUQPKFWGH-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.47
Rot. Bonds6

About (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine

(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 116766241) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine
PubChem CID116766241
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(N)C2(OC)CCC(C)CC2)c1
InChIInChI=1S/C17H28N2O2/c1-4-9-21-15-10-14(11-19-12-15)16(18)17(20-3)7-5-13(2)6-8-17/h10-13,16H,4-9,18H2,1-3H3
InChIKeyNLVHCBUQPKFWGH-UHFFFAOYSA-N
XLogP3.47
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 116766242
(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
CID 116766074
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116769046
(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
CID 105175729
(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine
CID 116766270
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767768
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
N-ethyl-2-(1-methoxycyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanamine
CID 103559738
N-methyl-1-(1-methylcyclopentyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026977
N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine
CID 116722846
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 114661932

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine (CID 116766241) is (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(N)C2(OC)CCC(C)CC2)c1.
What is the InChIKey of (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is NLVHCBUQPKFWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-9-21-15-10-14(11-19-12-15)16(18)17(20-3)7-5-13(2)6-8-17/h10-13,16H,4-9,18H2,1-3H3.
What are the key properties of (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine?
(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 292.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 116766241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).