2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine

C11H19N3 — CID 76677736

IUPAC2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine
SMILESCCC(N)CNc1ccccc1NC
InChIInChI=1S/C11H19N3/c1-3-9(12)8-14-11-7-5-4-6-10(11)13-2/h4-7,9,13-14H,3,8,12H2,1-2H3
InChIKeyQGNAQIRUADSTKU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.88
Rot. Bonds5

About 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine

2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 76677736) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine
PubChem CID76677736
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine
SMILESCCC(N)CNc1ccccc1NC
InChIInChI=1S/C11H19N3/c1-3-9(12)8-14-11-7-5-4-6-10(11)13-2/h4-7,9,13-14H,3,8,12H2,1-2H3
InChIKeyQGNAQIRUADSTKU-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-methylphenyl)butane-1,2-diamine
CID 19374458
1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine
CID 88866227
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587
2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine
CID 139409605
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
1-N-[(1S)-1-phenylethyl]butane-1,2-diamine
CID 91219857
2-(2-aminobutylamino)-4-methylbenzonitrile
CID 63731405
2-amino-3-(2-chloroanilino)propan-1-ol
CID 67271786
1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
CID 62254062
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
N-(2-ethylbutyl)-2-methylaniline
CID 29290197
1-N-(5-bromoisoquinolin-1-yl)butane-1,2-diamine
CID 106540633

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine (CID 76677736) is 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine is CCC(N)CNc1ccccc1NC.
What is the InChIKey of 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is QGNAQIRUADSTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-9(12)8-14-11-7-5-4-6-10(11)13-2/h4-7,9,13-14H,3,8,12H2,1-2H3.
What are the key properties of 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine?
2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminobutyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 76677736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).