N-(4-butyloctyl)aniline

C18H31N — CID 175196464

IUPACN-(4-butyloctyl)aniline
SMILESCCCCC(CCCC)CCCNc1ccccc1
InChIInChI=1S/C18H31N/c1-3-5-11-17(12-6-4-2)13-10-16-19-18-14-8-7-9-15-18/h7-9,14-15,17,19H,3-6,10-13,16H2,1-2H3
InChIKeySTSRBWVKNYWRTQ-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.88
Rot. Bonds11

About N-(4-butyloctyl)aniline

N-(4-butyloctyl)aniline (PubChem CID 175196464) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-(4-butyloctyl)aniline.

Molecular Properties

Compound NameN-(4-butyloctyl)aniline
PubChem CID175196464
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-(4-butyloctyl)aniline
SMILESCCCCC(CCCC)CCCNc1ccccc1
InChIInChI=1S/C18H31N/c1-3-5-11-17(12-6-4-2)13-10-16-19-18-14-8-7-9-15-18/h7-9,14-15,17,19H,3-6,10-13,16H2,1-2H3
InChIKeySTSRBWVKNYWRTQ-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.88
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

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CID 54509054
N-heptylaniline;hydrate
CID 174886464
1-anilinoheptacosan-13-ol
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N-propylaniline
CID 12153
N-[4-(tripropoxymethyl)dodecyl]aniline
CID 151444668
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
2-anilinoethanol;(2S)-2-hydroxyhexanoic acid
CID 90456183
1-anilinooctan-4-one
CID 10680405
N-(12-dodecoxydodecyl)aniline
CID 54486065
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N-(3-propan-2-ylsulfanylpropyl)aniline
CID 62579295

Frequently Asked Questions

What is the IUPAC name of N-(4-butyloctyl)aniline?
The IUPAC name of N-(4-butyloctyl)aniline (CID 175196464) is N-(4-butyloctyl)aniline.
What is the SMILES notation for N-(4-butyloctyl)aniline?
The canonical SMILES for N-(4-butyloctyl)aniline is CCCCC(CCCC)CCCNc1ccccc1.
What is the InChIKey of N-(4-butyloctyl)aniline?
The InChIKey is STSRBWVKNYWRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-5-11-17(12-6-4-2)13-10-16-19-18-14-8-7-9-15-18/h7-9,14-15,17,19H,3-6,10-13,16H2,1-2H3.
What are the key properties of N-(4-butyloctyl)aniline?
N-(4-butyloctyl)aniline has a molecular weight of 261.45 g/mol, XLogP of 5.88, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyloctyl)aniline is sourced from PubChem (CID 175196464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).