N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine

C17H28N2 — CID 63964134

IUPACN'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-5-17(2,3)19(4)16(13-18-15-11-12-15)14-9-7-6-8-10-14/h6-10,15-16,18H,5,11-13H2,1-4H3
InChIKeyRNOYOQROWZIEMB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds7

About N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine

N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine (PubChem CID 63964134) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
PubChem CID63964134
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-5-17(2,3)19(4)16(13-18-15-11-12-15)14-9-7-6-8-10-14/h6-10,15-16,18H,5,11-13H2,1-4H3
InChIKeyRNOYOQROWZIEMB-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
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-methyl-1-phenylethane-1,2-diamine
CID 62424766
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'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62433088
N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 78989643
N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 63274243
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
CID 65071440
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116906127
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464133
N-(2-phenylbutyl)cyclopentanamine
CID 60664890

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine (CID 63964134) is N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine is CCC(C)(C)N(C)C(CNC1CC1)c1ccccc1.
What is the InChIKey of N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is RNOYOQROWZIEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-17(2,3)19(4)16(13-18-15-11-12-15)14-9-7-6-8-10-14/h6-10,15-16,18H,5,11-13H2,1-4H3.
What are the key properties of N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine?
N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63964134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).