N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

C16H31NO — CID 115842084

IUPACN-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)C1CCC(C)O1
InChIInChI=1S/C16H31NO/c1-3-11-17-15(16-10-9-13(2)18-16)12-14-7-5-4-6-8-14/h13-17H,3-12H2,1-2H3
InChIKeyROFPHTQCNIBVSO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds6

About N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (PubChem CID 115842084) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
PubChem CID115842084
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)C1CCC(C)O1
InChIInChI=1S/C16H31NO/c1-3-11-17-15(16-10-9-13(2)18-16)12-14-7-5-4-6-8-14/h13-17H,3-12H2,1-2H3
InChIKeyROFPHTQCNIBVSO-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

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Related Compounds

1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105054940
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
N-[2-cyclohexyl-1-(4-ethylmorpholin-2-yl)ethyl]propan-1-amine
CID 79668960
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
N-[2-cyclopentyl-1-(4,4-difluorocyclohexyl)ethyl]propan-1-amine
CID 105138999
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 104992048
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (CID 115842084) is N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is CCCNC(CC1CCCCC1)C1CCC(C)O1.
What is the InChIKey of N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is ROFPHTQCNIBVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-11-17-15(16-10-9-13(2)18-16)12-14-7-5-4-6-8-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]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-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115842084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).