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

C19H38N2 — CID 81302881

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNC2CCC(C)(C)CC2C)(N(C)C)C1
InChIInChI=1S/C19H38N2/c1-15-8-7-10-19(12-15,21(5)6)14-20-17-9-11-18(3,4)13-16(17)2/h15-17,20H,7-14H2,1-6H3
InChIKeyKWVZFLOEJAISRG-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds4

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

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81302881) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81302881
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNC2CCC(C)(C)CC2C)(N(C)C)C1
InChIInChI=1S/C19H38N2/c1-15-8-7-10-19(12-15,21(5)6)14-20-17-9-11-18(3,4)13-16(17)2/h15-17,20H,7-14H2,1-6H3
InChIKeyKWVZFLOEJAISRG-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3-trimethyl-1-[[(2-methylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65045533
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid
CID 103243177
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
CID 63622541
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
CID 61210978
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
CID 55202503
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine
CID 65083602
[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 103966009
1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112686327
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81327337
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine (CID 81302881) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine is CC1CCCC(CNC2CCC(C)(C)CC2C)(N(C)C)C1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is KWVZFLOEJAISRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15-8-7-10-19(12-15,21(5)6)14-20-17-9-11-18(3,4)13-16(17)2/h15-17,20H,7-14H2,1-6H3.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81302881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).