3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine

C13H23N3 — CID 170004129

IUPAC3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
SMILESCC(C)CCNc1cccc(NCCN)c1
InChIInChI=1S/C13H23N3/c1-11(2)6-8-15-12-4-3-5-13(10-12)16-9-7-14/h3-5,10-11,15-16H,6-9,14H2,1-2H3
InChIKeyBVMHZMWBVCRSNG-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.52
Rot. Bonds7

About 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine

3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine (PubChem CID 170004129) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
PubChem CID170004129
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
SMILESCC(C)CCNc1cccc(NCCN)c1
InChIInChI=1S/C13H23N3/c1-11(2)6-8-15-12-4-3-5-13(10-12)16-9-7-14/h3-5,10-11,15-16H,6-9,14H2,1-2H3
InChIKeyBVMHZMWBVCRSNG-UHFFFAOYSA-N
XLogP2.52
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methylbutylamino)phenyl]urea
CID 43744542
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
3-(3-methylbutylamino)benzenecarboximidamide
CID 70080138
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
N-(3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691963
N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
CID 54864439
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
ethane;N'-phenylethane-1,2-diamine
CID 91048519
2-[3-(2-aminoethylamino)phenoxy]propanoic acid
CID 117097635
[3-(3-methylbutylamino)phenyl] 3-methylbutanoate
CID 82531873
[3-(3-methylbutylamino)phenyl] 3-methylbut-2-enoate
CID 82531870
N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 59849275

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine (CID 170004129) is 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine is CC(C)CCNc1cccc(NCCN)c1.
What is the InChIKey of 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine?
The InChIKey is BVMHZMWBVCRSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)6-8-15-12-4-3-5-13(10-12)16-9-7-14/h3-5,10-11,15-16H,6-9,14H2,1-2H3.
What are the key properties of 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine?
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine is sourced from PubChem (CID 170004129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).