N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine

C17H28N2 — CID 62422186

IUPACN'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
SMILESCCN(CC(C)C)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-19(13-14(2)3)17(12-18-16-10-11-16)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyLHPNBGCDHWUTAH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds8

About N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine

N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine (PubChem CID 62422186) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
PubChem CID62422186
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
SMILESCCN(CC(C)C)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-19(13-14(2)3)17(12-18-16-10-11-16)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyLHPNBGCDHWUTAH-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43081728
N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 78989643
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 63964134
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 122034736
N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62433088

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine (CID 62422186) is N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine is CCN(CC(C)C)C(CNC1CC1)c1ccccc1.
What is the InChIKey of N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The InChIKey is LHPNBGCDHWUTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(13-14(2)3)17(12-18-16-10-11-16)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine?
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62422186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).