4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine

C14H24N2 — CID 83155630

IUPAC4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
SMILESCC(C)CCCNc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2/c1-12(2)6-5-11-15-13-7-9-14(10-8-13)16(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyLRPBPHHBBVSPOH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.60
Rot. Bonds6

About 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine (PubChem CID 83155630) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
PubChem CID83155630
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
SMILESCC(C)CCCNc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2/c1-12(2)6-5-11-15-13-7-9-14(10-8-13)16(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyLRPBPHHBBVSPOH-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
4-(4-methylpentylamino)benzoic acid
CID 63003341
5-N-(4-methylpentyl)pyridine-2,5-diamine
CID 63004274
3,4-difluoro-N-(4-methylpentyl)aniline
CID 83155387
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
N-(4-methylpentyl)-4-(trifluoromethoxy)aniline
CID 83157081
(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
CID 93345471
1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103033160
4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 54961012
methyl 4-[4-(dimethylamino)anilino]butanoate
CID 43617051
1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103409400

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine (CID 83155630) is 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine is CC(C)CCCNc1ccc(N(C)C)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine?
The InChIKey is LRPBPHHBBVSPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)6-5-11-15-13-7-9-14(10-8-13)16(3)4/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine is sourced from PubChem (CID 83155630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).