benzene;octadecan-1-amine

C24H45N — CID 175562752

IUPACbenzene;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.c1ccccc1
InChIInChI=1S/C18H39N.C6H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-4-6-5-3-1/h2-19H2,1H3;1-6H
InChIKeyNEIRFKOZNFIGQV-UHFFFAOYSA-N
MW347.63 g/mol
LogP7.89
Rot. Bonds16

About benzene;octadecan-1-amine

benzene;octadecan-1-amine (PubChem CID 175562752) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is benzene;octadecan-1-amine.

Molecular Properties

Compound Namebenzene;octadecan-1-amine
PubChem CID175562752
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Namebenzene;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.c1ccccc1
InChIInChI=1S/C18H39N.C6H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-4-6-5-3-1/h2-19H2,1H3;1-6H
InChIKeyNEIRFKOZNFIGQV-UHFFFAOYSA-N
XLogP7.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.89
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

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of benzene;octadecan-1-amine?
The IUPAC name of benzene;octadecan-1-amine (CID 175562752) is benzene;octadecan-1-amine.
What is the SMILES notation for benzene;octadecan-1-amine?
The canonical SMILES for benzene;octadecan-1-amine is CCCCCCCCCCCCCCCCCCN.c1ccccc1.
What is the InChIKey of benzene;octadecan-1-amine?
The InChIKey is NEIRFKOZNFIGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C6H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-4-6-5-3-1/h2-19H2,1H3;1-6H.
What are the key properties of benzene;octadecan-1-amine?
benzene;octadecan-1-amine has a molecular weight of 347.63 g/mol, XLogP of 7.89, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;octadecan-1-amine is sourced from PubChem (CID 175562752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).