1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine

C18H38N2 — CID 115999151

IUPAC1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CN(CC)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H38N2/c1-8-15(3)10-20(9-2)18(14-19)12-16(4,5)11-17(6,7)13-18/h15H,8-14,19H2,1-7H3
InChIKeyOFDVPPDTVHKRHV-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.29
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine (PubChem CID 115999151) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine
PubChem CID115999151
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CN(CC)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H38N2/c1-8-15(3)10-20(9-2)18(14-19)12-16(4,5)11-17(6,7)13-18/h15H,8-14,19H2,1-7H3
InChIKeyOFDVPPDTVHKRHV-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 112682327
4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
CID 79477711
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682311
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine
CID 79477209
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
CID 79476725
1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
CID 112682313
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 112682322
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
CID 79477400
1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 65087963

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine (CID 115999151) is 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine is CCC(C)CN(CC)C1(CN)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine?
The InChIKey is OFDVPPDTVHKRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-15(3)10-20(9-2)18(14-19)12-16(4,5)11-17(6,7)13-18/h15H,8-14,19H2,1-7H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 115999151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).