N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine

C17H30N2 — CID 55070032

IUPACN-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
SMILESCCCCN(C)C(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-6-12-19(4)17(14-18-13-15(2)3)16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3
InChIKeyQLRODXRQTUVDEJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.71
Rot. Bonds9

About N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine

N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine (PubChem CID 55070032) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
PubChem CID55070032
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
SMILESCCCCN(C)C(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-6-12-19(4)17(14-18-13-15(2)3)16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3
InChIKeyQLRODXRQTUVDEJ-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
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'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62417159
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine
CID 173290484
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62424987

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine (CID 55070032) is N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine is CCCCN(C)C(CNCC(C)C)c1ccccc1.
What is the InChIKey of N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The InChIKey is QLRODXRQTUVDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-6-12-19(4)17(14-18-13-15(2)3)16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3.
What are the key properties of N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 55070032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).