1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine

C12H20N2 — CID 43726650

IUPAC1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCCCNc1ccccc1N(C)C
InChIInChI=1S/C12H20N2/c1-4-5-10-13-11-8-6-7-9-12(11)14(2)3/h6-9,13H,4-5,10H2,1-3H3
InChIKeyBLYBXECYDPXFHS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.96
Rot. Bonds5

About 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43726650) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43726650
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCCCNc1ccccc1N(C)C
InChIInChI=1S/C12H20N2/c1-4-5-10-13-11-8-6-7-9-12(11)14(2)3/h6-9,13H,4-5,10H2,1-3H3
InChIKeyBLYBXECYDPXFHS-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 106759609
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
3-(butylamino)-2-(dimethylamino)phenol
CID 54044489
3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707987
5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106760070
2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine
CID 106759620
2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
CID 43787294
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667
2-(hexadecylamino)phenol
CID 154256819

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43726650) is 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine is CCCCNc1ccccc1N(C)C.
What is the InChIKey of 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is BLYBXECYDPXFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-5-10-13-11-8-6-7-9-12(11)14(2)3/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43726650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).