N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine

C18H30N2 — CID 43081728

IUPACN'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNC1CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-20(4-2)18(16-11-7-5-8-12-16)15-19-17-13-9-6-10-14-17/h5,7-8,11-12,17-19H,3-4,6,9-10,13-15H2,1-2H3
InChIKeyBHFJYXVXQMVYRF-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds7

About N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine

N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine (PubChem CID 43081728) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
PubChem CID43081728
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNC1CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-20(4-2)18(16-11-7-5-8-12-16)15-19-17-13-9-6-10-14-17/h5,7-8,11-12,17-19H,3-4,6,9-10,13-15H2,1-2H3
InChIKeyBHFJYXVXQMVYRF-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
CID 65071440
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol
CID 60900945
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 63964134
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 122034736
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine (CID 43081728) is N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine is CCN(CC)C(CNC1CCCCC1)c1ccccc1.
What is the InChIKey of N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine?
The InChIKey is BHFJYXVXQMVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-20(4-2)18(16-11-7-5-8-12-16)15-19-17-13-9-6-10-14-17/h5,7-8,11-12,17-19H,3-4,6,9-10,13-15H2,1-2H3.
What are the key properties of N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine?
N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43081728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).