N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine

C15H27N3 — CID 62924012

IUPACN'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(CN(CCN)CCN)cc1
InChIInChI=1S/C15H27N3/c1-15(2,3)14-6-4-13(5-7-14)12-18(10-8-16)11-9-17/h4-7H,8-12,16-17H2,1-3H3
InChIKeyZRWJXWHCYUGEPW-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.70
Rot. Bonds6

About N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine (PubChem CID 62924012) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
PubChem CID62924012
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(CN(CCN)CCN)cc1
InChIInChI=1S/C15H27N3/c1-15(2,3)14-6-4-13(5-7-14)12-18(10-8-16)11-9-17/h4-7H,8-12,16-17H2,1-3H3
InChIKeyZRWJXWHCYUGEPW-UHFFFAOYSA-N
XLogP1.70
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
4-[[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]methyl]benzonitrile
CID 23934196
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
2-bromo-N-[(4-tert-butylphenyl)methyl]-N-methylethanamine
CID 80674852
N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine
CID 143629280
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
3-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]propanethioamide
CID 63285367
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966
N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 14697636
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine (CID 62924012) is N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine is CC(C)(C)c1ccc(CN(CCN)CCN)cc1.
What is the InChIKey of N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is ZRWJXWHCYUGEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)14-6-4-13(5-7-14)12-18(10-8-16)11-9-17/h4-7H,8-12,16-17H2,1-3H3.
What are the key properties of N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62924012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).