4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine

C17H33N — CID 55192738

IUPAC4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(CNC2CCC(CC)CC2)CC1
InChIInChI=1S/C17H33N/c1-3-14-5-7-16(8-6-14)13-18-17-11-9-15(4-2)10-12-17/h14-18H,3-13H2,1-2H3
InChIKeyDDTFNVWJBMKZOU-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds5

About 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine

4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 55192738) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
PubChem CID55192738
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(CNC2CCC(CC)CC2)CC1
InChIInChI=1S/C17H33N/c1-3-14-5-7-16(8-6-14)13-18-17-11-9-15(4-2)10-12-17/h14-18H,3-13H2,1-2H3
InChIKeyDDTFNVWJBMKZOU-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
CID 79461789
4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79352504
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871436
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
CID 54920980
3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
CID 114146190
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500
4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115656258
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 103626242
N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine (CID 55192738) is 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine is CCC1CCC(CNC2CCC(CC)CC2)CC1.
What is the InChIKey of 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is DDTFNVWJBMKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-14-5-7-16(8-6-14)13-18-17-11-9-15(4-2)10-12-17/h14-18H,3-13H2,1-2H3.
What are the key properties of 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine?
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55192738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).