3-methyloctadecan-3-amine

C19H41N — CID 54058172

IUPAC3-methyloctadecan-3-amine
SMILESCCCCCCCCCCCCCCCC(C)(N)CC
InChIInChI=1S/C19H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3,20)5-2/h4-18,20H2,1-3H3
InChIKeyQGRORMRCZXQAGE-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.60
Rot. Bonds15

About 3-methyloctadecan-3-amine

3-methyloctadecan-3-amine (PubChem CID 54058172) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is 3-methyloctadecan-3-amine.

Molecular Properties

Compound Name3-methyloctadecan-3-amine
PubChem CID54058172
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Name3-methyloctadecan-3-amine
SMILESCCCCCCCCCCCCCCCC(C)(N)CC
InChIInChI=1S/C19H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3,20)5-2/h4-18,20H2,1-3H3
InChIKeyQGRORMRCZXQAGE-UHFFFAOYSA-N
XLogP6.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.60
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

2-methyloctane-1,2-diamine
CID 43519506
2-amino-2-methylhexadecan-1-ol
CID 87201246
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
3-ethylnonadecan-3-amine
CID 19028625
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
3,3-diethyl-2-methylheptadecan-2-amine
CID 139431028
3-amino-3-methyloctan-1-ol
CID 80558733
1-methoxy-3-methyldodecan-3-amine
CID 62620545
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070

Frequently Asked Questions

What is the IUPAC name of 3-methyloctadecan-3-amine?
The IUPAC name of 3-methyloctadecan-3-amine (CID 54058172) is 3-methyloctadecan-3-amine.
What is the SMILES notation for 3-methyloctadecan-3-amine?
The canonical SMILES for 3-methyloctadecan-3-amine is CCCCCCCCCCCCCCCC(C)(N)CC.
What is the InChIKey of 3-methyloctadecan-3-amine?
The InChIKey is QGRORMRCZXQAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3,20)5-2/h4-18,20H2,1-3H3.
What are the key properties of 3-methyloctadecan-3-amine?
3-methyloctadecan-3-amine has a molecular weight of 283.54 g/mol, XLogP of 6.60, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloctadecan-3-amine is sourced from PubChem (CID 54058172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).