N-butylaniline

C10H15N — CID 14310

IUPACN-butylaniline
SMILESCCCCNc1ccccc1
InChIInChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyVSHTWPWTCXQLQN-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.90
Rot. Bonds4

About N-butylaniline

N-butylaniline (PubChem CID 14310) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-butylaniline.

Molecular Properties

Compound NameN-butylaniline
PubChem CID14310
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-butylaniline
SMILESCCCCNc1ccccc1
InChIInChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyVSHTWPWTCXQLQN-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetanilide
CID 904
Diphenylamine
CID 11487
N,N-Dimethylaniline
CID 949
N-Phenyl-p-phenylenediamine
CID 7564
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Methylaniline
CID 7515
Formanilide
CID 7671
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120

Frequently Asked Questions

What is the IUPAC name of N-butylaniline?
The IUPAC name of N-butylaniline (CID 14310) is N-butylaniline.
What is the SMILES notation for N-butylaniline?
The canonical SMILES for N-butylaniline is CCCCNc1ccccc1.
What is the InChIKey of N-butylaniline?
The InChIKey is VSHTWPWTCXQLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3.
What are the key properties of N-butylaniline?
N-butylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylaniline is sourced from PubChem (CID 14310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).