N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine

C19H37NO — CID 66322903

IUPACN-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC2CCCC2)CCC(CCC)CC1
InChIInChI=1S/C19H37NO/c1-3-7-17-10-12-19(13-11-17,16-20-14-4-2)21-15-18-8-5-6-9-18/h17-18,20H,3-16H2,1-2H3
InChIKeyORVSIADTHLPPSH-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.92
Rot. Bonds9

About N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine

N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine (PubChem CID 66322903) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine
PubChem CID66322903
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC2CCCC2)CCC(CCC)CC1
InChIInChI=1S/C19H37NO/c1-3-7-17-10-12-19(13-11-17,16-20-14-4-2)21-15-18-8-5-6-9-18/h17-18,20H,3-16H2,1-2H3
InChIKeyORVSIADTHLPPSH-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.92
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-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
CID 63474851
N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
CID 62107816
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474602
1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773990
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
CID 114248811
1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
CID 66322900
N-[(1-ethoxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62107994
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62110752
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine (CID 66322903) is N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine is CCCNCC1(OCC2CCCC2)CCC(CCC)CC1.
What is the InChIKey of N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine?
The InChIKey is ORVSIADTHLPPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-7-17-10-12-19(13-11-17,16-20-14-4-2)21-15-18-8-5-6-9-18/h17-18,20H,3-16H2,1-2H3.
What are the key properties of N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine?
N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 66322903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).