3-propan-2-yltridecan-2-amine

C16H35N — CID 63401691

IUPAC3-propan-2-yltridecan-2-amine
SMILESCCCCCCCCCCC(C(C)C)C(C)N
InChIInChI=1S/C16H35N/c1-5-6-7-8-9-10-11-12-13-16(14(2)3)15(4)17/h14-16H,5-13,17H2,1-4H3
InChIKeyYQUOXTLAKSYJJY-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.14
Rot. Bonds11

About 3-propan-2-yltridecan-2-amine

3-propan-2-yltridecan-2-amine (PubChem CID 63401691) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 3-propan-2-yltridecan-2-amine.

Molecular Properties

Compound Name3-propan-2-yltridecan-2-amine
PubChem CID63401691
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name3-propan-2-yltridecan-2-amine
SMILESCCCCCCCCCCC(C(C)C)C(C)N
InChIInChI=1S/C16H35N/c1-5-6-7-8-9-10-11-12-13-16(14(2)3)15(4)17/h14-16H,5-13,17H2,1-4H3
InChIKeyYQUOXTLAKSYJJY-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.14
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-yldecan-2-amine
CID 63401734
2-methyl-3-propan-2-yltetradecane
CID 154298453
3-butan-2-yltetradecan-2-amine
CID 175063584
5-methyl-4-propan-2-yltetradecane
CID 123996280
N-ethyl-3-propan-2-ylnonan-2-amine
CID 63401515
(3R)-2-methylundecan-3-amine
CID 167260316
(2S)-tetradecan-2-amine
CID 25021238
2,3-dimethylnonacosane
CID 71331945
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
8,9-dimethylhexacosane
CID 160651612

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yltridecan-2-amine?
The IUPAC name of 3-propan-2-yltridecan-2-amine (CID 63401691) is 3-propan-2-yltridecan-2-amine.
What is the SMILES notation for 3-propan-2-yltridecan-2-amine?
The canonical SMILES for 3-propan-2-yltridecan-2-amine is CCCCCCCCCCC(C(C)C)C(C)N.
What is the InChIKey of 3-propan-2-yltridecan-2-amine?
The InChIKey is YQUOXTLAKSYJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-6-7-8-9-10-11-12-13-16(14(2)3)15(4)17/h14-16H,5-13,17H2,1-4H3.
What are the key properties of 3-propan-2-yltridecan-2-amine?
3-propan-2-yltridecan-2-amine has a molecular weight of 241.46 g/mol, XLogP of 5.14, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yltridecan-2-amine is sourced from PubChem (CID 63401691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).