4-(aminomethyl)-N-octyl-N-propylaniline

C18H32N2 — CID 43275934

IUPAC4-(aminomethyl)-N-octyl-N-propylaniline
SMILESCCCCCCCCN(CCC)c1ccc(CN)cc1
InChIInChI=1S/C18H32N2/c1-3-5-6-7-8-9-15-20(14-4-2)18-12-10-17(16-19)11-13-18/h10-13H,3-9,14-16,19H2,1-2H3
InChIKeyCKUMLVNZZFKIIE-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.72
Rot. Bonds11

About 4-(aminomethyl)-N-octyl-N-propylaniline

4-(aminomethyl)-N-octyl-N-propylaniline (PubChem CID 43275934) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-octyl-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-octyl-N-propylaniline
PubChem CID43275934
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-(aminomethyl)-N-octyl-N-propylaniline
SMILESCCCCCCCCN(CCC)c1ccc(CN)cc1
InChIInChI=1S/C18H32N2/c1-3-5-6-7-8-9-15-20(14-4-2)18-12-10-17(16-19)11-13-18/h10-13H,3-9,14-16,19H2,1-2H3
InChIKeyCKUMLVNZZFKIIE-UHFFFAOYSA-N
XLogP4.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
N,4-dibutyl-N-octylaniline
CID 175203597
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
CID 43275905
3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
CID 43457117
N,N-diheptyl-4-methylaniline
CID 20558578
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline
CID 54958363
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-octyl-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-N-octyl-N-propylaniline (CID 43275934) is 4-(aminomethyl)-N-octyl-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-octyl-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-N-octyl-N-propylaniline is CCCCCCCCN(CCC)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-octyl-N-propylaniline?
The InChIKey is CKUMLVNZZFKIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-5-6-7-8-9-15-20(14-4-2)18-12-10-17(16-19)11-13-18/h10-13H,3-9,14-16,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-octyl-N-propylaniline?
4-(aminomethyl)-N-octyl-N-propylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-octyl-N-propylaniline is sourced from PubChem (CID 43275934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).