2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine

C19H32N2 — CID 102627924

IUPAC2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)CCc2ccccc2)C1(C)C
InChIInChI=1S/C19H32N2/c1-15-18(20)11-10-17(19(15,2)3)14-21(4)13-12-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14,20H2,1-4H3
InChIKeyNTKJWTONAYHDAE-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.56
Rot. Bonds5

About 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 102627924) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
PubChem CID102627924
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)CCc2ccccc2)C1(C)C
InChIInChI=1S/C19H32N2/c1-15-18(20)11-10-17(19(15,2)3)14-21(4)13-12-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14,20H2,1-4H3
InChIKeyNTKJWTONAYHDAE-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine (CID 102627924) is 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine is CC1C(N)CCC(CN(C)CCc2ccccc2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is NTKJWTONAYHDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-18(20)11-10-17(19(15,2)3)14-21(4)13-12-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14,20H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).