3-propan-2-yldodecan-2-amine

C15H33N — CID 63401694

IUPAC3-propan-2-yldodecan-2-amine
SMILESCCCCCCCCCC(C(C)C)C(C)N
InChIInChI=1S/C15H33N/c1-5-6-7-8-9-10-11-12-15(13(2)3)14(4)16/h13-15H,5-12,16H2,1-4H3
InChIKeyMDCMIGIKRCRPLK-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.75
Rot. Bonds10

About 3-propan-2-yldodecan-2-amine

3-propan-2-yldodecan-2-amine (PubChem CID 63401694) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 3-propan-2-yldodecan-2-amine.

Molecular Properties

Compound Name3-propan-2-yldodecan-2-amine
PubChem CID63401694
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name3-propan-2-yldodecan-2-amine
SMILESCCCCCCCCCC(C(C)C)C(C)N
InChIInChI=1S/C15H33N/c1-5-6-7-8-9-10-11-12-15(13(2)3)14(4)16/h13-15H,5-12,16H2,1-4H3
InChIKeyMDCMIGIKRCRPLK-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.75
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-yltridecan-2-amine
CID 63401691
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
(2S)-tridecan-2-amine
CID 24884182
2,3-dimethylnonacosane
CID 71331945
(2S)-nonadecan-2-amine
CID 94864909
16,17-dimethyltritriacontane
CID 91506561

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yldodecan-2-amine?
The IUPAC name of 3-propan-2-yldodecan-2-amine (CID 63401694) is 3-propan-2-yldodecan-2-amine.
What is the SMILES notation for 3-propan-2-yldodecan-2-amine?
The canonical SMILES for 3-propan-2-yldodecan-2-amine is CCCCCCCCCC(C(C)C)C(C)N.
What is the InChIKey of 3-propan-2-yldodecan-2-amine?
The InChIKey is MDCMIGIKRCRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-5-6-7-8-9-10-11-12-15(13(2)3)14(4)16/h13-15H,5-12,16H2,1-4H3.
What are the key properties of 3-propan-2-yldodecan-2-amine?
3-propan-2-yldodecan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yldodecan-2-amine is sourced from PubChem (CID 63401694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).