3,3-dimethylpentadecan-1-amine

C17H37N — CID 81014127

IUPAC3,3-dimethylpentadecan-1-amine
SMILESCCCCCCCCCCCCC(C)(C)CCN
InChIInChI=1S/C17H37N/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18/h4-16,18H2,1-3H3
InChIKeyVWIXEQAIAVKMCL-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.67
Rot. Bonds13

About 3,3-dimethylpentadecan-1-amine

3,3-dimethylpentadecan-1-amine (PubChem CID 81014127) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 3,3-dimethylpentadecan-1-amine.

Molecular Properties

Compound Name3,3-dimethylpentadecan-1-amine
PubChem CID81014127
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name3,3-dimethylpentadecan-1-amine
SMILESCCCCCCCCCCCCC(C)(C)CCN
InChIInChI=1S/C17H37N/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18/h4-16,18H2,1-3H3
InChIKeyVWIXEQAIAVKMCL-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.67
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

4,4-dimethyltridecan-1-amine
CID 172686024
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethyloctan-1-amine
CID 62739423
N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
15,15-dimethylnonacosan-10-amine
CID 175397632
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
heptadecane-1,3,3-triamine
CID 88794313
7,7-dimethyldocosan-1-ol
CID 150860437
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentadecan-1-amine?
The IUPAC name of 3,3-dimethylpentadecan-1-amine (CID 81014127) is 3,3-dimethylpentadecan-1-amine.
What is the SMILES notation for 3,3-dimethylpentadecan-1-amine?
The canonical SMILES for 3,3-dimethylpentadecan-1-amine is CCCCCCCCCCCCC(C)(C)CCN.
What is the InChIKey of 3,3-dimethylpentadecan-1-amine?
The InChIKey is VWIXEQAIAVKMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18/h4-16,18H2,1-3H3.
What are the key properties of 3,3-dimethylpentadecan-1-amine?
3,3-dimethylpentadecan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentadecan-1-amine is sourced from PubChem (CID 81014127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).