2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine

C18H30N2 — CID 43767796

IUPAC2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C18H30N2/c1-18(2,20(3)4)14-19-17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17,19H,8-9,12-14H2,1-4H3
InChIKeyBZPCVLYVNTZSSM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.64
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine (PubChem CID 43767796) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
PubChem CID43767796
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C18H30N2/c1-18(2,20(3)4)14-19-17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17,19H,8-9,12-14H2,1-4H3
InChIKeyBZPCVLYVNTZSSM-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
CID 107151533
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
N,N-diethyl-2-[(2-phenylcyclohexyl)amino]acetamide
CID 115712662
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine (CID 43767796) is 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine is CN(C)C(C)(C)CNC1CCCCC1c1ccccc1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine?
The InChIKey is BZPCVLYVNTZSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,20(3)4)14-19-17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17,19H,8-9,12-14H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine is sourced from PubChem (CID 43767796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).