17-methyloctadecane-1,1-diamine

C19H42N2 — CID 154316058

IUPAC17-methyloctadecane-1,1-diamine
SMILESCC(C)CCCCCCCCCCCCCCCC(N)N
InChIInChI=1S/C19H42N2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18-19H,3-17,20-21H2,1-2H3
InChIKeyCJPHFZACVOCTCD-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.74
Rot. Bonds16

About 17-methyloctadecane-1,1-diamine

17-methyloctadecane-1,1-diamine (PubChem CID 154316058) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 17-methyloctadecane-1,1-diamine.

Molecular Properties

Compound Name17-methyloctadecane-1,1-diamine
PubChem CID154316058
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name17-methyloctadecane-1,1-diamine
SMILESCC(C)CCCCCCCCCCCCCCCC(N)N
InChIInChI=1S/C19H42N2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18-19H,3-17,20-21H2,1-2H3
InChIKeyCJPHFZACVOCTCD-UHFFFAOYSA-N
XLogP5.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,34-dimethylpentatriacontan-18-amine
CID 141007495
dodecane-1,1,12,12-tetramine
CID 57282204
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
hexacosane-1,1-diamine
CID 137375175
36-methylheptatriacontan-1-amine
CID 134324173
hexatriacontane-1,1-diamine
CID 21495844
4-methylpentane-1,1-diamine;dihydrochloride
CID 87818690
tris(7-methyloctyl)phosphane
CID 141083422
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
tris(6-methylheptyl)phosphane
CID 14029657

Frequently Asked Questions

What is the IUPAC name of 17-methyloctadecane-1,1-diamine?
The IUPAC name of 17-methyloctadecane-1,1-diamine (CID 154316058) is 17-methyloctadecane-1,1-diamine.
What is the SMILES notation for 17-methyloctadecane-1,1-diamine?
The canonical SMILES for 17-methyloctadecane-1,1-diamine is CC(C)CCCCCCCCCCCCCCCC(N)N.
What is the InChIKey of 17-methyloctadecane-1,1-diamine?
The InChIKey is CJPHFZACVOCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18-19H,3-17,20-21H2,1-2H3.
What are the key properties of 17-methyloctadecane-1,1-diamine?
17-methyloctadecane-1,1-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.74, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyloctadecane-1,1-diamine is sourced from PubChem (CID 154316058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).