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

C17H30N2 — CID 62424767

IUPACN-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCCCCN(C)C(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-7-13-19(5)16(14-18-17(2,3)4)15-11-9-8-10-12-15/h8-12,16,18H,6-7,13-14H2,1-5H3
InChIKeyZTFGBLXQDRIWIP-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.85
Rot. Bonds7

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

N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 62424767) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
PubChem CID62424767
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
SMILESCCCCN(C)C(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-7-13-19(5)16(14-18-17(2,3)4)15-11-9-8-10-12-15/h8-12,16,18H,6-7,13-14H2,1-5H3
InChIKeyZTFGBLXQDRIWIP-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.85
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-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine
CID 79480923
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine
CID 173290484
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine (CID 62424767) is N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine is CCCCN(C)C(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is ZTFGBLXQDRIWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-7-13-19(5)16(14-18-17(2,3)4)15-11-9-8-10-12-15/h8-12,16,18H,6-7,13-14H2,1-5H3.
What are the key properties of N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine?
N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62424767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).