2-heptyl-N,N-dimethylaniline

C15H25N — CID 69464807

IUPAC2-heptyl-N,N-dimethylaniline
SMILESCCCCCCCc1ccccc1N(C)C
InChIInChI=1S/C15H25N/c1-4-5-6-7-8-11-14-12-9-10-13-15(14)16(2)3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyYIQHNPLNUCWOJA-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.27
Rot. Bonds7

About 2-heptyl-N,N-dimethylaniline

2-heptyl-N,N-dimethylaniline (PubChem CID 69464807) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-heptyl-N,N-dimethylaniline.

Molecular Properties

Compound Name2-heptyl-N,N-dimethylaniline
PubChem CID69464807
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-heptyl-N,N-dimethylaniline
SMILESCCCCCCCc1ccccc1N(C)C
InChIInChI=1S/C15H25N/c1-4-5-6-7-8-11-14-12-9-10-13-15(14)16(2)3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyYIQHNPLNUCWOJA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
N,N-dimethyl-2-nonadecylaniline;hydrochloride
CID 175204059
2-dodecyl-N,N-dimethylaniline;hydrobromide
CID 175216326
N,N-dimethyl-2-octadecylaniline;hydrobromide
CID 175213757
N,N-diethyl-2-heptadecylaniline
CID 175210337
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
N,N-diethyl-2-pentadecylaniline;hydrochloride
CID 174968496
1,2-di(undecyl)benzene
CID 3019479
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-N,N-dimethylaniline?
The IUPAC name of 2-heptyl-N,N-dimethylaniline (CID 69464807) is 2-heptyl-N,N-dimethylaniline.
What is the SMILES notation for 2-heptyl-N,N-dimethylaniline?
The canonical SMILES for 2-heptyl-N,N-dimethylaniline is CCCCCCCc1ccccc1N(C)C.
What is the InChIKey of 2-heptyl-N,N-dimethylaniline?
The InChIKey is YIQHNPLNUCWOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-6-7-8-11-14-12-9-10-13-15(14)16(2)3/h9-10,12-13H,4-8,11H2,1-3H3.
What are the key properties of 2-heptyl-N,N-dimethylaniline?
2-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 2-heptyl-N,N-dimethylaniline is sourced from PubChem (CID 69464807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).