N-heptyl-N-pentylaniline

C18H31N — CID 154378615

IUPACN-heptyl-N-pentylaniline
SMILESCCCCCCCN(CCCCC)c1ccccc1
InChIInChI=1S/C18H31N/c1-3-5-7-8-13-17-19(16-12-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyRPJDKOHJHFHRAC-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.65
Rot. Bonds11

About N-heptyl-N-pentylaniline

N-heptyl-N-pentylaniline (PubChem CID 154378615) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-heptyl-N-pentylaniline.

Molecular Properties

Compound NameN-heptyl-N-pentylaniline
PubChem CID154378615
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-heptyl-N-pentylaniline
SMILESCCCCCCCN(CCCCC)c1ccccc1
InChIInChI=1S/C18H31N/c1-3-5-7-8-13-17-19(16-12-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyRPJDKOHJHFHRAC-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-heptyl-N-pentylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-di(nonyl)aniline
CID 22637953
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N-(fluoromethyl)-N-hexylaniline
CID 22637345
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
3-(N-hexylanilino)propanethioamide
CID 29006609
2-(N-decylanilino)ethyl acetate
CID 70658915
butane;N-octyl-N-phenylaniline
CID 175431375
N,N-diheptyl-4-methylaniline
CID 20558578
N-heptyl-N-methylaniline
CID 54015540
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
N,N-dibutylaniline;perchloric acid
CID 71443116
N,N-dipropylaniline;ethane
CID 142135231

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-pentylaniline?
The IUPAC name of N-heptyl-N-pentylaniline (CID 154378615) is N-heptyl-N-pentylaniline.
What is the SMILES notation for N-heptyl-N-pentylaniline?
The canonical SMILES for N-heptyl-N-pentylaniline is CCCCCCCN(CCCCC)c1ccccc1.
What is the InChIKey of N-heptyl-N-pentylaniline?
The InChIKey is RPJDKOHJHFHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-5-7-8-13-17-19(16-12-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3.
What are the key properties of N-heptyl-N-pentylaniline?
N-heptyl-N-pentylaniline has a molecular weight of 261.45 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-pentylaniline is sourced from PubChem (CID 154378615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).