4-heptyl-N,N-dimethylaniline

C15H25N — CID 20777180

IUPAC4-heptyl-N,N-dimethylaniline
SMILESCCCCCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h10-13H,4-9H2,1-3H3
InChIKeySJYZFKKNZVEAFH-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.27
Rot. Bonds7

About 4-heptyl-N,N-dimethylaniline

4-heptyl-N,N-dimethylaniline (PubChem CID 20777180) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-heptyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-heptyl-N,N-dimethylaniline
PubChem CID20777180
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-heptyl-N,N-dimethylaniline
SMILESCCCCCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h10-13H,4-9H2,1-3H3
InChIKeySJYZFKKNZVEAFH-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-butyl-4-nonylbenzene
CID 59545302
4-heptyl-N,N-bis(phosphanyl)aniline
CID 169286189
N,N-dichloro-4-hexylaniline
CID 87850897
4-nonyl-N,N-bis(phosphanyl)aniline
CID 169286153
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
3-(4-dodecylphenyl)-N,N-dimethylaniline
CID 57074168
bis(4-hexylphenyl)tin
CID 177496129

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-N,N-dimethylaniline?
The IUPAC name of 4-heptyl-N,N-dimethylaniline (CID 20777180) is 4-heptyl-N,N-dimethylaniline.
What is the SMILES notation for 4-heptyl-N,N-dimethylaniline?
The canonical SMILES for 4-heptyl-N,N-dimethylaniline is CCCCCCCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-heptyl-N,N-dimethylaniline?
The InChIKey is SJYZFKKNZVEAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-heptyl-N,N-dimethylaniline?
4-heptyl-N,N-dimethylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-N,N-dimethylaniline is sourced from PubChem (CID 20777180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).