N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine

C17H33NO — CID 63473534

IUPACN-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC2CCCCC2C)CCCCC1
InChIInChI=1S/C17H33NO/c1-3-13-18-14-17(11-7-4-8-12-17)19-16-10-6-5-9-15(16)2/h15-16,18H,3-14H2,1-2H3
InChIKeyWRBUTGQXXKGJMT-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds6

About N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine

N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine (PubChem CID 63473534) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine
PubChem CID63473534
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC2CCCCC2C)CCCCC1
InChIInChI=1S/C17H33NO/c1-3-13-18-14-17(11-7-4-8-12-17)19-16-10-6-5-9-15(16)2/h15-16,18H,3-14H2,1-2H3
InChIKeyWRBUTGQXXKGJMT-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
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

N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
CID 62106143
N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine
CID 103273091
N-[[1-(oxan-4-yloxy)cyclohexyl]methyl]propan-1-amine
CID 62106086
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
CID 63474851
N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
CID 64732041
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine
CID 63473906
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
CID 102723011
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine (CID 63473534) is N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine is CCCNCC1(OC2CCCCC2C)CCCCC1.
What is the InChIKey of N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine?
The InChIKey is WRBUTGQXXKGJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-13-18-14-17(11-7-4-8-12-17)19-16-10-6-5-9-15(16)2/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine?
N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63473534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).