4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine

C15H26N2 — CID 43779641

IUPAC4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
SMILESCCC(Nc1ccc(N(C)C)cc1C)C(C)C
InChIInChI=1S/C15H26N2/c1-7-14(11(2)3)16-15-9-8-13(17(5)6)10-12(15)4/h8-11,14,16H,7H2,1-6H3
InChIKeyHZWFOHSNHYIWGQ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.91
Rot. Bonds5

About 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine

4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine (PubChem CID 43779641) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
PubChem CID43779641
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
SMILESCCC(Nc1ccc(N(C)C)cc1C)C(C)C
InChIInChI=1S/C15H26N2/c1-7-14(11(2)3)16-15-9-8-13(17(5)6)10-12(15)4/h8-11,14,16H,7H2,1-6H3
InChIKeyHZWFOHSNHYIWGQ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.91
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-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103388013
3-methyl-4-(2-methylpentan-3-ylamino)benzonitrile
CID 61472529
1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115916626
2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
CID 43676976
4-N,4-N,2-trimethyl-1-N-(2-methylpentyl)benzene-1,4-diamine
CID 43676865
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525
1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43779637
2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 60853749
1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43677033
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 115916628

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine (CID 43779641) is 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine is CCC(Nc1ccc(N(C)C)cc1C)C(C)C.
What is the InChIKey of 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine?
The InChIKey is HZWFOHSNHYIWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-7-14(11(2)3)16-15-9-8-13(17(5)6)10-12(15)4/h8-11,14,16H,7H2,1-6H3.
What are the key properties of 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine?
4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 43779641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).