10-tert-butylnonadecan-10-amine

C23H49N — CID 20837586

IUPAC10-tert-butylnonadecan-10-amine
SMILESCCCCCCCCCC(N)(CCCCCCCCC)C(C)(C)C
InChIInChI=1S/C23H49N/c1-6-8-10-12-14-16-18-20-23(24,22(3,4)5)21-19-17-15-13-11-9-7-2/h6-21,24H2,1-5H3
InChIKeyXMVMYOPOYRNWDH-UHFFFAOYSA-N
MW339.65 g/mol
LogP8.01
Rot. Bonds16

About 10-tert-butylnonadecan-10-amine

10-tert-butylnonadecan-10-amine (PubChem CID 20837586) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is 10-tert-butylnonadecan-10-amine.

Molecular Properties

Compound Name10-tert-butylnonadecan-10-amine
PubChem CID20837586
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC Name10-tert-butylnonadecan-10-amine
SMILESCCCCCCCCCC(N)(CCCCCCCCC)C(C)(C)C
InChIInChI=1S/C23H49N/c1-6-8-10-12-14-16-18-20-23(24,22(3,4)5)21-19-17-15-13-11-9-7-2/h6-21,24H2,1-5H3
InChIKeyXMVMYOPOYRNWDH-UHFFFAOYSA-N
XLogP8.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 58.01
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

6,7-dipentyldodecane-6,7-diamine
CID 23346628
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
tetracosane-6,6-diamine
CID 154005419
11-decylhenicosan-11-amine
CID 19847882
nonane-1,1,1-triamine
CID 18954154
3-methyloctadecan-3-amine
CID 54058172
13-tert-butyl-13-methylpentacosane
CID 91013833
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185

Frequently Asked Questions

What is the IUPAC name of 10-tert-butylnonadecan-10-amine?
The IUPAC name of 10-tert-butylnonadecan-10-amine (CID 20837586) is 10-tert-butylnonadecan-10-amine.
What is the SMILES notation for 10-tert-butylnonadecan-10-amine?
The canonical SMILES for 10-tert-butylnonadecan-10-amine is CCCCCCCCCC(N)(CCCCCCCCC)C(C)(C)C.
What is the InChIKey of 10-tert-butylnonadecan-10-amine?
The InChIKey is XMVMYOPOYRNWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-6-8-10-12-14-16-18-20-23(24,22(3,4)5)21-19-17-15-13-11-9-7-2/h6-21,24H2,1-5H3.
What are the key properties of 10-tert-butylnonadecan-10-amine?
10-tert-butylnonadecan-10-amine has a molecular weight of 339.65 g/mol, XLogP of 8.01, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butylnonadecan-10-amine is sourced from PubChem (CID 20837586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).