N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine

C19H32N2 — CID 62423722

IUPACN'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-19(2,3)20-15-18(16-11-7-5-8-12-16)21(4)17-13-9-6-10-14-17/h5,7-8,11-12,17-18,20H,6,9-10,13-15H2,1-4H3
InChIKeyRMHQXTRPFVRSLO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.38
Rot. Bonds5

About N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine

N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 62423722) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
PubChem CID62423722
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-19(2,3)20-15-18(16-11-7-5-8-12-16)21(4)17-13-9-6-10-14-17/h5,7-8,11-12,17-18,20H,6,9-10,13-15H2,1-4H3
InChIKeyRMHQXTRPFVRSLO-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine
CID 62411806
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
1-N-tert-butyl-2-N-cyclohexyl-2-N,3-dimethylbutane-1,2-diamine
CID 62423532
N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424767
N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62413207
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 115562272
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 82754002

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine (CID 62423722) is N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine is CN(C1CCCCC1)C(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is RMHQXTRPFVRSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-19(2,3)20-15-18(16-11-7-5-8-12-16)21(4)17-13-9-6-10-14-17/h5,7-8,11-12,17-18,20H,6,9-10,13-15H2,1-4H3.
What are the key properties of N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine?
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62423722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).