1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine

C19H38N2 — CID 63465218

IUPAC1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCCCC1N(C)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H38N2/c1-15-8-6-7-9-17(15)21(5)19(14-20)12-10-16(11-13-19)18(2,3)4/h15-17H,6-14,20H2,1-5H3
InChIKeyQFGFQNGQLXHANJ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.43
Rot. Bonds3

About 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine

1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 63465218) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
PubChem CID63465218
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCCCC1N(C)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H38N2/c1-15-8-6-7-9-17(15)21(5)19(14-20)12-10-16(11-13-19)18(2,3)4/h15-17H,6-14,20H2,1-5H3
InChIKeyQFGFQNGQLXHANJ-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine (CID 63465218) is 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine is CC1CCCCC1N(C)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is QFGFQNGQLXHANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15-8-6-7-9-17(15)21(5)19(14-20)12-10-16(11-13-19)18(2,3)4/h15-17H,6-14,20H2,1-5H3.
What are the key properties of 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine?
1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 63465218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).