azane;4-(2-chloropropan-2-yl)octadecan-1-amine

C21H47ClN2 — CID 174713785

IUPACazane;4-(2-chloropropan-2-yl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCC(CCCN)C(C)(C)Cl.N
InChIInChI=1S/C21H44ClN.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(18-16-19-23)21(2,3)22;/h20H,4-19,23H2,1-3H3;1H3
InChIKeyGZPQJAIDMRSHOH-UHFFFAOYSA-N
MW363.07 g/mol
LogP7.61
Rot. Bonds17

About azane;4-(2-chloropropan-2-yl)octadecan-1-amine

azane;4-(2-chloropropan-2-yl)octadecan-1-amine (PubChem CID 174713785) has the molecular formula C21H47ClN2 and a molecular weight of 363.07 g/mol. Its IUPAC name is azane;4-(2-chloropropan-2-yl)octadecan-1-amine.

Molecular Properties

Compound Nameazane;4-(2-chloropropan-2-yl)octadecan-1-amine
PubChem CID174713785
Molecular FormulaC21H47ClN2
Molecular Weight363.07 g/mol
Exact Mass362.34
IUPAC Nameazane;4-(2-chloropropan-2-yl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCC(CCCN)C(C)(C)Cl.N
InChIInChI=1S/C21H44ClN.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(18-16-19-23)21(2,3)22;/h20H,4-19,23H2,1-3H3;1H3
InChIKeyGZPQJAIDMRSHOH-UHFFFAOYSA-N
XLogP7.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.07
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane
CID 172702580
4-hexylundecan-1-amine
CID 167174040
4-heptylundecan-1-amine
CID 146490531
2-chloro-3-ethyl-2-methylheptane
CID 141208623
3-hexyl-2-methylundecan-2-amine
CID 89005835
9-tert-butylhenicosane
CID 150708915
1-aminopentadecan-4-ol
CID 151480186
2-chloro-2,3-dimethylnonane
CID 87897655
2-chloro-2,3-dimethyltridecane
CID 87222996
11-(2-methylheptan-2-yl)docosane
CID 57252514

Frequently Asked Questions

What is the IUPAC name of azane;4-(2-chloropropan-2-yl)octadecan-1-amine?
The IUPAC name of azane;4-(2-chloropropan-2-yl)octadecan-1-amine (CID 174713785) is azane;4-(2-chloropropan-2-yl)octadecan-1-amine.
What is the SMILES notation for azane;4-(2-chloropropan-2-yl)octadecan-1-amine?
The canonical SMILES for azane;4-(2-chloropropan-2-yl)octadecan-1-amine is CCCCCCCCCCCCCCC(CCCN)C(C)(C)Cl.N.
What is the InChIKey of azane;4-(2-chloropropan-2-yl)octadecan-1-amine?
The InChIKey is GZPQJAIDMRSHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44ClN.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(18-16-19-23)21(2,3)22;/h20H,4-19,23H2,1-3H3;1H3.
What are the key properties of azane;4-(2-chloropropan-2-yl)octadecan-1-amine?
azane;4-(2-chloropropan-2-yl)octadecan-1-amine has a molecular weight of 363.07 g/mol, XLogP of 7.61, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(2-chloropropan-2-yl)octadecan-1-amine is sourced from PubChem (CID 174713785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).