2-methylpentadecan-2-amine;hydroiodide

C16H36IN — CID 175554566

IUPAC2-methylpentadecan-2-amine;hydroiodide
SMILESCCCCCCCCCCCCCC(C)(C)N.I
InChIInChI=1S/C16H35N.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17;/h4-15,17H2,1-3H3;1H
InChIKeyVNBFRWHQHSZMJT-UHFFFAOYSA-N
MW369.38 g/mol
LogP6.04
Rot. Bonds12

About 2-methylpentadecan-2-amine;hydroiodide

2-methylpentadecan-2-amine;hydroiodide (PubChem CID 175554566) has the molecular formula C16H36IN and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-methylpentadecan-2-amine;hydroiodide.

Molecular Properties

Compound Name2-methylpentadecan-2-amine;hydroiodide
PubChem CID175554566
Molecular FormulaC16H36IN
Molecular Weight369.38 g/mol
Exact Mass369.19
IUPAC Name2-methylpentadecan-2-amine;hydroiodide
SMILESCCCCCCCCCCCCCC(C)(C)N.I
InChIInChI=1S/C16H35N.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17;/h4-15,17H2,1-3H3;1H
InChIKeyVNBFRWHQHSZMJT-UHFFFAOYSA-N
XLogP6.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
2,4,4-trimethyldodecan-2-amine
CID 88894727
methyl hydrogen sulfate;2-methylnonadecan-2-amine
CID 173392018
11-decylhenicosan-11-amine
CID 19847882
tetracosane-6,6-diamine
CID 154005419
nonane-1,1,1-triamine
CID 18954154
3-methyloctadecan-3-amine
CID 54058172
10-tert-butylnonadecan-10-amine
CID 20837586

Frequently Asked Questions

What is the IUPAC name of 2-methylpentadecan-2-amine;hydroiodide?
The IUPAC name of 2-methylpentadecan-2-amine;hydroiodide (CID 175554566) is 2-methylpentadecan-2-amine;hydroiodide.
What is the SMILES notation for 2-methylpentadecan-2-amine;hydroiodide?
The canonical SMILES for 2-methylpentadecan-2-amine;hydroiodide is CCCCCCCCCCCCCC(C)(C)N.I.
What is the InChIKey of 2-methylpentadecan-2-amine;hydroiodide?
The InChIKey is VNBFRWHQHSZMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17;/h4-15,17H2,1-3H3;1H.
What are the key properties of 2-methylpentadecan-2-amine;hydroiodide?
2-methylpentadecan-2-amine;hydroiodide has a molecular weight of 369.38 g/mol, XLogP of 6.04, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentadecan-2-amine;hydroiodide is sourced from PubChem (CID 175554566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).