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

C16H31NO — CID 62106143

IUPACN-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OC2CCC(C)CC2)CCCC1
InChIInChI=1S/C16H31NO/c1-3-12-17-13-16(10-4-5-11-16)18-15-8-6-14(2)7-9-15/h14-15,17H,3-13H2,1-2H3
InChIKeyAQEXWSOTAVEZHH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds6

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

N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine (PubChem CID 62106143) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
PubChem CID62106143
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OC2CCC(C)CC2)CCCC1
InChIInChI=1S/C16H31NO/c1-3-12-17-13-16(10-4-5-11-16)18-15-8-6-14(2)7-9-15/h14-15,17H,3-13H2,1-2H3
InChIKeyAQEXWSOTAVEZHH-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
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-(oxan-4-yloxy)cyclohexyl]methyl]propan-1-amine
CID 62106086
N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
CID 64732041
N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 62107213
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043
N-[[1-(2-methylcyclohexyl)oxycyclohexyl]methyl]propan-1-amine
CID 63473534
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
CID 62106808
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
CID 63474851
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62110752
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine (CID 62106143) is N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine is CCCNCC1(OC2CCC(C)CC2)CCCC1.
What is the InChIKey of N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine?
The InChIKey is AQEXWSOTAVEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-12-17-13-16(10-4-5-11-16)18-15-8-6-14(2)7-9-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine?
N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 62106143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).