N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine

C16H26N2 — CID 62424766

IUPACN-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCCCCN(C)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-3-4-12-18(2)16(13-17-15-10-11-15)14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13H2,1-2H3
InChIKeySDWGGPFMEZBDOQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds8

About N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine

N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 62424766) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
PubChem CID62424766
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCCCCN(C)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-3-4-12-18(2)16(13-17-15-10-11-15)14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13H2,1-2H3
InChIKeySDWGGPFMEZBDOQ-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424767
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62433088
N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 63964134
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 63274243
N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43081728
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N-(2-phenylnonyl)cyclopropanamine
CID 65431169

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine (CID 62424766) is N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine is CCCCN(C)C(CNC1CC1)c1ccccc1.
What is the InChIKey of N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is SDWGGPFMEZBDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-12-18(2)16(13-17-15-10-11-15)14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13H2,1-2H3.
What are the key properties of N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine?
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62424766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).