N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine

C16H31N — CID 103561721

IUPACN-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCCC1CCC(CNC2CC(C(C)C)C2)CC1
InChIInChI=1S/C16H31N/c1-4-13-5-7-14(8-6-13)11-17-16-9-15(10-16)12(2)3/h12-17H,4-11H2,1-3H3
InChIKeyJLSKGQFRHNTIJP-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine

N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561721) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561721
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCCC1CCC(CNC2CC(C(C)C)C2)CC1
InChIInChI=1S/C16H31N/c1-4-13-5-7-14(8-6-13)11-17-16-9-15(10-16)12(2)3/h12-17H,4-11H2,1-3H3
InChIKeyJLSKGQFRHNTIJP-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 103578521
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871436
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
CID 79461789
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
N-(cyclopropylmethyl)-1-(3-propan-2-ylcyclohexyl)piperidin-4-amine
CID 107449560
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine (CID 103561721) is N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine is CCC1CCC(CNC2CC(C(C)C)C2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is JLSKGQFRHNTIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-13-5-7-14(8-6-13)11-17-16-9-15(10-16)12(2)3/h12-17H,4-11H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103561721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).