4-(1-amino-5-methylhexyl)-N,N-dimethylaniline

C15H26N2 — CID 105177155

IUPAC4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
SMILESCC(C)CCCC(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)6-5-7-15(16)13-8-10-14(11-9-13)17(3)4/h8-12,15H,5-7,16H2,1-4H3
InChIKeyCTEFUCWOYXVVRE-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.58
Rot. Bonds6

About 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline

4-(1-amino-5-methylhexyl)-N,N-dimethylaniline (PubChem CID 105177155) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
PubChem CID105177155
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
SMILESCC(C)CCCC(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)6-5-7-15(16)13-8-10-14(11-9-13)17(3)4/h8-12,15H,5-7,16H2,1-4H3
InChIKeyCTEFUCWOYXVVRE-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminododecyl)-N,N-dimethylaniline
CID 154320367
5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol
CID 82367205
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980
4-(1-aminopent-4-ynyl)-N,N-dimethylaniline
CID 105149189
4-(1-amino-5-methylhexyl)benzoic acid
CID 67326826
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
CID 105028512
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
(3S)-3-amino-3-[4-(dimethylamino)phenyl]propanenitrile
CID 95436537
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
CID 105028693

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline (CID 105177155) is 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline is CC(C)CCCC(N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline?
The InChIKey is CTEFUCWOYXVVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)6-5-7-15(16)13-8-10-14(11-9-13)17(3)4/h8-12,15H,5-7,16H2,1-4H3.
What are the key properties of 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline?
4-(1-amino-5-methylhexyl)-N,N-dimethylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-5-methylhexyl)-N,N-dimethylaniline is sourced from PubChem (CID 105177155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).