4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine

C19H38N2 — CID 13387426

IUPAC4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine
SMILESCC1CC(CC2CCC(N(C)C)C(C)C2)CCC1N(C)C
InChIInChI=1S/C19H38N2/c1-14-11-16(7-9-18(14)20(3)4)13-17-8-10-19(21(5)6)15(2)12-17/h14-19H,7-13H2,1-6H3
InChIKeyBSOCMWPHGUXDJK-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.11
Rot. Bonds4

About 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine

4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine (PubChem CID 13387426) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine
PubChem CID13387426
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine
SMILESCC1CC(CC2CCC(N(C)C)C(C)C2)CCC1N(C)C
InChIInChI=1S/C19H38N2/c1-14-11-16(7-9-18(14)20(3)4)13-17-8-10-19(21(5)6)15(2)12-17/h14-19H,7-13H2,1-6H3
InChIKeyBSOCMWPHGUXDJK-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine (CID 13387426) is 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine is CC1CC(CC2CCC(N(C)C)C(C)C2)CCC1N(C)C.
What is the InChIKey of 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine?
The InChIKey is BSOCMWPHGUXDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-14-11-16(7-9-18(14)20(3)4)13-17-8-10-19(21(5)6)15(2)12-17/h14-19H,7-13H2,1-6H3.
What are the key properties of 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine?
4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-3-methylcyclohexyl]methyl]-N,N,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 13387426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).