3-butan-2-yltetradecan-2-amine

C18H39N — CID 175063584

IUPAC3-butan-2-yltetradecan-2-amine
SMILESCCCCCCCCCCCC(C(C)N)C(C)CC
InChIInChI=1S/C18H39N/c1-5-7-8-9-10-11-12-13-14-15-18(17(4)19)16(3)6-2/h16-18H,5-15,19H2,1-4H3
InChIKeyRDVWGZRUJISLTJ-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.92
Rot. Bonds13

About 3-butan-2-yltetradecan-2-amine

3-butan-2-yltetradecan-2-amine (PubChem CID 175063584) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 3-butan-2-yltetradecan-2-amine.

Molecular Properties

Compound Name3-butan-2-yltetradecan-2-amine
PubChem CID175063584
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name3-butan-2-yltetradecan-2-amine
SMILESCCCCCCCCCCCC(C(C)N)C(C)CC
InChIInChI=1S/C18H39N/c1-5-7-8-9-10-11-12-13-14-15-18(17(4)19)16(3)6-2/h16-18H,5-15,19H2,1-4H3
InChIKeyRDVWGZRUJISLTJ-UHFFFAOYSA-N
XLogP5.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.92
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

3-propan-2-yldodecan-2-amine
CID 63401694
3-propan-2-yltridecan-2-amine
CID 63401691
3-propan-2-yldecan-2-amine
CID 63401734
3-methyldecan-4-amine
CID 63719252
4-methylundecan-3-amine
CID 63562083
3,4-dimethyldecane;ethane
CID 170980289
11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
8,9-dimethylhexacosane
CID 160651612
pentacosan-7-amine
CID 88938409
11,12-dimethyloctacosane
CID 23345853

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yltetradecan-2-amine?
The IUPAC name of 3-butan-2-yltetradecan-2-amine (CID 175063584) is 3-butan-2-yltetradecan-2-amine.
What is the SMILES notation for 3-butan-2-yltetradecan-2-amine?
The canonical SMILES for 3-butan-2-yltetradecan-2-amine is CCCCCCCCCCCC(C(C)N)C(C)CC.
What is the InChIKey of 3-butan-2-yltetradecan-2-amine?
The InChIKey is RDVWGZRUJISLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-5-7-8-9-10-11-12-13-14-15-18(17(4)19)16(3)6-2/h16-18H,5-15,19H2,1-4H3.
What are the key properties of 3-butan-2-yltetradecan-2-amine?
3-butan-2-yltetradecan-2-amine has a molecular weight of 269.52 g/mol, XLogP of 5.92, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yltetradecan-2-amine is sourced from PubChem (CID 175063584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).