4-(aminomethyl)-N-hexadecylaniline

C23H42N2 — CID 4122428

IUPAC4-(aminomethyl)-N-hexadecylaniline
SMILESCCCCCCCCCCCCCCCCNc1ccc(CN)cc1
InChIInChI=1S/C23H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23-18-16-22(21-24)17-19-23/h16-19,25H,2-15,20-21,24H2,1H3
InChIKeyMMENAVHICGTNAT-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.04
Rot. Bonds17

About 4-(aminomethyl)-N-hexadecylaniline

4-(aminomethyl)-N-hexadecylaniline (PubChem CID 4122428) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 4-(aminomethyl)-N-hexadecylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-hexadecylaniline
PubChem CID4122428
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name4-(aminomethyl)-N-hexadecylaniline
SMILESCCCCCCCCCCCCCCCCNc1ccc(CN)cc1
InChIInChI=1S/C23H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23-18-16-22(21-24)17-19-23/h16-19,25H,2-15,20-21,24H2,1H3
InChIKeyMMENAVHICGTNAT-UHFFFAOYSA-N
XLogP7.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Desipramine
CID 2995
Dimethyl-p-toluidine
CID 7471
Desipramine Hydrochloride
CID 65327
Bis(p-(dimethylamino)phenyl)methane
CID 7567
N-Ethylaniline
CID 7670
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
N-Butylaniline
CID 14310
4,4'-Dioctyldiphenylamine
CID 7569

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-hexadecylaniline?
The IUPAC name of 4-(aminomethyl)-N-hexadecylaniline (CID 4122428) is 4-(aminomethyl)-N-hexadecylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-hexadecylaniline?
The canonical SMILES for 4-(aminomethyl)-N-hexadecylaniline is CCCCCCCCCCCCCCCCNc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-hexadecylaniline?
The InChIKey is MMENAVHICGTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23-18-16-22(21-24)17-19-23/h16-19,25H,2-15,20-21,24H2,1H3.
What are the key properties of 4-(aminomethyl)-N-hexadecylaniline?
4-(aminomethyl)-N-hexadecylaniline has a molecular weight of 346.60 g/mol, XLogP of 7.04, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-hexadecylaniline is sourced from PubChem (CID 4122428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).