4-propyldec-9-yn-4-amine

C13H25N — CID 57062818

IUPAC4-propyldec-9-yn-4-amine
SMILESC#CCCCCC(N)(CCC)CCC
InChIInChI=1S/C13H25N/c1-4-7-8-9-12-13(14,10-5-2)11-6-3/h1H,5-12,14H2,2-3H3
InChIKeyFHOHZXMMUCISAB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.48
Rot. Bonds8

About 4-propyldec-9-yn-4-amine

4-propyldec-9-yn-4-amine (PubChem CID 57062818) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-propyldec-9-yn-4-amine.

Molecular Properties

Compound Name4-propyldec-9-yn-4-amine
PubChem CID57062818
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-propyldec-9-yn-4-amine
SMILESC#CCCCCC(N)(CCC)CCC
InChIInChI=1S/C13H25N/c1-4-7-8-9-12-13(14,10-5-2)11-6-3/h1H,5-12,14H2,2-3H3
InChIKeyFHOHZXMMUCISAB-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
3-propylheptane-1,3,7-triamine
CID 57060059
11-decylhenicosan-11-amine
CID 19847882
oct-1-yne
CID 19597608
9,9-dimethyldec-1-yne
CID 169300385
12-undecyltricosan-12-amine;hydrate
CID 173445536
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
5-butylhexadecan-5-amine
CID 22244897
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035

Frequently Asked Questions

What is the IUPAC name of 4-propyldec-9-yn-4-amine?
The IUPAC name of 4-propyldec-9-yn-4-amine (CID 57062818) is 4-propyldec-9-yn-4-amine.
What is the SMILES notation for 4-propyldec-9-yn-4-amine?
The canonical SMILES for 4-propyldec-9-yn-4-amine is C#CCCCCC(N)(CCC)CCC.
What is the InChIKey of 4-propyldec-9-yn-4-amine?
The InChIKey is FHOHZXMMUCISAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-7-8-9-12-13(14,10-5-2)11-6-3/h1H,5-12,14H2,2-3H3.
What are the key properties of 4-propyldec-9-yn-4-amine?
4-propyldec-9-yn-4-amine has a molecular weight of 195.35 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyldec-9-yn-4-amine is sourced from PubChem (CID 57062818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).