1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine

C12H20N2 — CID 21430110

IUPAC1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCC(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2/c1-5-10(2)13-11-6-8-12(9-7-11)14(3)4/h6-10,13H,5H2,1-4H3
InChIKeyUGXYINOQDDOOFQ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.96
Rot. Bonds4

About 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 21430110) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID21430110
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCC(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2/c1-5-10(2)13-11-6-8-12(9-7-11)14(3)4/h6-10,13H,5H2,1-4H3
InChIKeyUGXYINOQDDOOFQ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 62534120
N-[4-(butan-2-ylamino)phenyl]-N-methylacetamide
CID 115927646
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
4-[4-(dimethylamino)anilino]pentan-1-ol
CID 115976111
4-[amino(butan-2-yl)amino]-N-butan-2-ylaniline;ethanol
CID 158773745
O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine
CID 21339527
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
CID 19805826
4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
CID 93225665
2-[4-(dimethylamino)anilino]butanamide
CID 62900216
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
CID 43617104
4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline
CID 115715577
4-N-butan-2-yl-2-N-[4-(dimethylamino)phenyl]-6-phenylpyrimidine-2,4-diamine
CID 112933968

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine (CID 21430110) is 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine is CCC(C)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is UGXYINOQDDOOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-10(2)13-11-6-8-12(9-7-11)14(3)4/h6-10,13H,5H2,1-4H3.
What are the key properties of 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 21430110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).