N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine

C18H35NO — CID 63474851

IUPACN-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC2CCCCC2)CCC(C)CC1
InChIInChI=1S/C18H35NO/c1-3-13-19-15-18(11-9-16(2)10-12-18)20-14-17-7-5-4-6-8-17/h16-17,19H,3-15H2,1-2H3
InChIKeyIWYBJISEPWEOJN-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds7

About N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine

N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine (PubChem CID 63474851) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
PubChem CID63474851
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC2CCCCC2)CCC(C)CC1
InChIInChI=1S/C18H35NO/c1-3-13-19-15-18(11-9-16(2)10-12-18)20-14-17-7-5-4-6-8-17/h16-17,19H,3-15H2,1-2H3
InChIKeyIWYBJISEPWEOJN-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine (CID 63474851) is N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine is CCCNCC1(OCC2CCCCC2)CCC(C)CC1.
What is the InChIKey of N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine?
The InChIKey is IWYBJISEPWEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-13-19-15-18(11-9-16(2)10-12-18)20-14-17-7-5-4-6-8-17/h16-17,19H,3-15H2,1-2H3.
What are the key properties of N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine?
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63474851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).