3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine

C18H30N2 — CID 64737587

IUPAC3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCc1ccc(CN(C)CC2C(C)CC(C)CC2N)cc1
InChIInChI=1S/C18H30N2/c1-13-5-7-16(8-6-13)11-20(4)12-17-15(3)9-14(2)10-18(17)19/h5-8,14-15,17-18H,9-12,19H2,1-4H3
InChIKeyDLZUDUCGQHBHLB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.44
Rot. Bonds4

About 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine

3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 64737587) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID64737587
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCc1ccc(CN(C)CC2C(C)CC(C)CC2N)cc1
InChIInChI=1S/C18H30N2/c1-13-5-7-16(8-6-13)11-20(4)12-17-15(3)9-14(2)10-18(17)19/h5-8,14-15,17-18H,9-12,19H2,1-4H3
InChIKeyDLZUDUCGQHBHLB-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735628
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol
CID 64736267
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736433
3,5-dimethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 64735863
N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64734849
N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
CID 64737201
2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63860369
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64737229
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63493814
3,5-dimethyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 64737262
N-methyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 55093693
3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64736364

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine (CID 64737587) is 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine is Cc1ccc(CN(C)CC2C(C)CC(C)CC2N)cc1.
What is the InChIKey of 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is DLZUDUCGQHBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-5-7-16(8-6-13)11-20(4)12-17-15(3)9-14(2)10-18(17)19/h5-8,14-15,17-18H,9-12,19H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64737587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).