2-[amino(butyl)amino]aniline;ethane

C12H23N3 — CID 143625379

IUPAC2-[amino(butyl)amino]aniline;ethane
SMILESCC.CCCCN(N)c1ccccc1N
InChIInChI=1S/C10H17N3.C2H6/c1-2-3-8-13(12)10-7-5-4-6-9(10)11;1-2/h4-7H,2-3,8,11-12H2,1H3;1-2H3
InChIKeyZTWVLCTWCYSIBL-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.78
Rot. Bonds4

About 2-[amino(butyl)amino]aniline;ethane

2-[amino(butyl)amino]aniline;ethane (PubChem CID 143625379) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[amino(butyl)amino]aniline;ethane.

Molecular Properties

Compound Name2-[amino(butyl)amino]aniline;ethane
PubChem CID143625379
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[amino(butyl)amino]aniline;ethane
SMILESCC.CCCCN(N)c1ccccc1N
InChIInChI=1S/C10H17N3.C2H6/c1-2-3-8-13(12)10-7-5-4-6-9(10)11;1-2/h4-7H,2-3,8,11-12H2,1H3;1-2H3
InChIKeyZTWVLCTWCYSIBL-UHFFFAOYSA-N
XLogP2.78
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino-[[(N,2-diaminoanilino)methyl-octadecylamino]methyl]amino]aniline
CID 167065860
2-[amino(hexyl)amino]phenol
CID 175507997
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-[amino(chloromethyl)amino]aniline
CID 143088197
1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol
CID 82071441
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
CID 62264739
2-[amino-[[[butoxy(pentyl)phosphanyl]sulfanylmethyl-octadecylamino]methyl]amino]aniline
CID 145388516
4-bromo-2-N-butyl-2-N-phenylbenzene-1,2-diamine
CID 65342200
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
CID 142020233

Frequently Asked Questions

What is the IUPAC name of 2-[amino(butyl)amino]aniline;ethane?
The IUPAC name of 2-[amino(butyl)amino]aniline;ethane (CID 143625379) is 2-[amino(butyl)amino]aniline;ethane.
What is the SMILES notation for 2-[amino(butyl)amino]aniline;ethane?
The canonical SMILES for 2-[amino(butyl)amino]aniline;ethane is CC.CCCCN(N)c1ccccc1N.
What is the InChIKey of 2-[amino(butyl)amino]aniline;ethane?
The InChIKey is ZTWVLCTWCYSIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-2-3-8-13(12)10-7-5-4-6-9(10)11;1-2/h4-7H,2-3,8,11-12H2,1H3;1-2H3.
What are the key properties of 2-[amino(butyl)amino]aniline;ethane?
2-[amino(butyl)amino]aniline;ethane has a molecular weight of 209.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(butyl)amino]aniline;ethane is sourced from PubChem (CID 143625379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).