(3R)-2,2-dimethylpentadecan-3-amine

C17H37N — CID 124525155

IUPAC(3R)-2,2-dimethylpentadecan-3-amine
SMILESCCCCCCCCCCCC[C@@H](N)C(C)(C)C
InChIInChI=1S/C17H37N/c1-5-6-7-8-9-10-11-12-13-14-15-16(18)17(2,3)4/h16H,5-15,18H2,1-4H3/t16-/m1/s1
InChIKeyLOSVLKGXYLRDBW-MRXNPFEDSA-N
MW255.49 g/mol
LogP5.67
Rot. Bonds11

About (3R)-2,2-dimethylpentadecan-3-amine

(3R)-2,2-dimethylpentadecan-3-amine (PubChem CID 124525155) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is (3R)-2,2-dimethylpentadecan-3-amine.

Molecular Properties

Compound Name(3R)-2,2-dimethylpentadecan-3-amine
PubChem CID124525155
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name(3R)-2,2-dimethylpentadecan-3-amine
SMILESCCCCCCCCCCCC[C@@H](N)C(C)(C)C
InChIInChI=1S/C17H37N/c1-5-6-7-8-9-10-11-12-13-14-15-16(18)17(2,3)4/h16H,5-15,18H2,1-4H3/t16-/m1/s1
InChIKeyLOSVLKGXYLRDBW-MRXNPFEDSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
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

2,2-dimethyldodecan-3-amine
CID 43370499
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
2-methyldecane-2,3-diamine
CID 87934186
2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
4-hexyl-2,2-dimethyldecan-3-amine
CID 146243827
2-ethoxy-2-methylundecan-3-amine
CID 116726130
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
2-aminoheptane-1,1,1-triol
CID 90384529
15-tetradecyltriacontane-15,16-diamine
CID 129286411

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethylpentadecan-3-amine?
The IUPAC name of (3R)-2,2-dimethylpentadecan-3-amine (CID 124525155) is (3R)-2,2-dimethylpentadecan-3-amine.
What is the SMILES notation for (3R)-2,2-dimethylpentadecan-3-amine?
The canonical SMILES for (3R)-2,2-dimethylpentadecan-3-amine is CCCCCCCCCCCC[C@@H](N)C(C)(C)C.
What is the InChIKey of (3R)-2,2-dimethylpentadecan-3-amine?
The InChIKey is LOSVLKGXYLRDBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H37N/c1-5-6-7-8-9-10-11-12-13-14-15-16(18)17(2,3)4/h16H,5-15,18H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-2,2-dimethylpentadecan-3-amine?
(3R)-2,2-dimethylpentadecan-3-amine has a molecular weight of 255.49 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethylpentadecan-3-amine is sourced from PubChem (CID 124525155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).