4-methyl-5-prop-2-enylnon-1-en-4-amine

C13H25N — CID 87204497

IUPAC4-methyl-5-prop-2-enylnon-1-en-4-amine
SMILESC=CCC(CCCC)C(C)(N)CC=C
InChIInChI=1S/C13H25N/c1-5-8-10-12(9-6-2)13(4,14)11-7-3/h6-7,12H,2-3,5,8-11,14H2,1,4H3
InChIKeyPQRIDSNIYXKXRF-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.66
Rot. Bonds8

About 4-methyl-5-prop-2-enylnon-1-en-4-amine

4-methyl-5-prop-2-enylnon-1-en-4-amine (PubChem CID 87204497) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-methyl-5-prop-2-enylnon-1-en-4-amine.

Molecular Properties

Compound Name4-methyl-5-prop-2-enylnon-1-en-4-amine
PubChem CID87204497
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-methyl-5-prop-2-enylnon-1-en-4-amine
SMILESC=CCC(CCCC)C(C)(N)CC=C
InChIInChI=1S/C13H25N/c1-5-8-10-12(9-6-2)13(4,14)11-7-3/h6-7,12H,2-3,5,8-11,14H2,1,4H3
InChIKeyPQRIDSNIYXKXRF-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-prop-2-enylnon-1-en-4-amine?
The IUPAC name of 4-methyl-5-prop-2-enylnon-1-en-4-amine (CID 87204497) is 4-methyl-5-prop-2-enylnon-1-en-4-amine.
What is the SMILES notation for 4-methyl-5-prop-2-enylnon-1-en-4-amine?
The canonical SMILES for 4-methyl-5-prop-2-enylnon-1-en-4-amine is C=CCC(CCCC)C(C)(N)CC=C.
What is the InChIKey of 4-methyl-5-prop-2-enylnon-1-en-4-amine?
The InChIKey is PQRIDSNIYXKXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-8-10-12(9-6-2)13(4,14)11-7-3/h6-7,12H,2-3,5,8-11,14H2,1,4H3.
What are the key properties of 4-methyl-5-prop-2-enylnon-1-en-4-amine?
4-methyl-5-prop-2-enylnon-1-en-4-amine has a molecular weight of 195.35 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-2-enylnon-1-en-4-amine is sourced from PubChem (CID 87204497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).