N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine

C16H31N — CID 125469957

IUPACN-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
SMILESCCC[C@@H]1CCC[C@@H]1CCNC1CCCCC1
InChIInChI=1S/C16H31N/c1-2-7-14-8-6-9-15(14)12-13-17-16-10-4-3-5-11-16/h14-17H,2-13H2,1H3/t14-,15-/m1/s1
InChIKeyGEFPEXURDUFOCW-HUUCEWRRSA-N
MW237.43 g/mol
LogP4.52
Rot. Bonds6

About N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine

N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine (PubChem CID 125469957) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
PubChem CID125469957
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
SMILESCCC[C@@H]1CCC[C@@H]1CCNC1CCCCC1
InChIInChI=1S/C16H31N/c1-2-7-14-8-6-9-15(14)12-13-17-16-10-4-3-5-11-16/h14-17H,2-13H2,1H3/t14-,15-/m1/s1
InChIKeyGEFPEXURDUFOCW-HUUCEWRRSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-dodecylcyclohexanamine
CID 3679395
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine (CID 125469957) is N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine is CCC[C@@H]1CCC[C@@H]1CCNC1CCCCC1.
What is the InChIKey of N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine?
The InChIKey is GEFPEXURDUFOCW-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H31N/c1-2-7-14-8-6-9-15(14)12-13-17-16-10-4-3-5-11-16/h14-17H,2-13H2,1H3/t14-,15-/m1/s1.
What are the key properties of N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine?
N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine has a molecular weight of 237.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine is sourced from PubChem (CID 125469957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).