N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine

C16H31N — CID 13028981

IUPACN-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine
SMILESCCC1CC(CCNC2CCCCC2)C1(C)C
InChIInChI=1S/C16H31N/c1-4-13-12-14(16(13,2)3)10-11-17-15-8-6-5-7-9-15/h13-15,17H,4-12H2,1-3H3
InChIKeyWNMKRYTUIZBCCX-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds5

About N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine

N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine (PubChem CID 13028981) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine
PubChem CID13028981
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine
SMILESCCC1CC(CCNC2CCCCC2)C1(C)C
InChIInChI=1S/C16H31N/c1-4-13-12-14(16(13,2)3)10-11-17-15-8-6-5-7-9-15/h13-15,17H,4-12H2,1-3H3
InChIKeyWNMKRYTUIZBCCX-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
CID 125469957
N-[2-(3-ethoxycyclobutyl)ethyl]cyclohexanamine
CID 103163432
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine
CID 23394688
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine (CID 13028981) is N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine is CCC1CC(CCNC2CCCCC2)C1(C)C.
What is the InChIKey of N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine?
The InChIKey is WNMKRYTUIZBCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-13-12-14(16(13,2)3)10-11-17-15-8-6-5-7-9-15/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine?
N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-2,2-dimethylcyclobutyl)ethyl]cyclohexanamine is sourced from PubChem (CID 13028981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).