5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine

C12H24N2 — CID 79068793

IUPAC5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine
SMILESC=CCC(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C12H24N2/c1-4-8-11(13)12(3,5-2)14-9-6-7-10-14/h4,11H,1,5-10,13H2,2-3H3
InChIKeyBFHNAVWHTCRZKS-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.15
Rot. Bonds5

About 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine

5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine (PubChem CID 79068793) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine.

Molecular Properties

Compound Name5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine
PubChem CID79068793
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine
SMILESC=CCC(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C12H24N2/c1-4-8-11(13)12(3,5-2)14-9-6-7-10-14/h4,11H,1,5-10,13H2,2-3H3
InChIKeyBFHNAVWHTCRZKS-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine?
The IUPAC name of 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine (CID 79068793) is 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine.
What is the SMILES notation for 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine?
The canonical SMILES for 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine is C=CCC(N)C(C)(CC)N1CCCC1.
What is the InChIKey of 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine?
The InChIKey is BFHNAVWHTCRZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-8-11(13)12(3,5-2)14-9-6-7-10-14/h4,11H,1,5-10,13H2,2-3H3.
What are the key properties of 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine?
5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine has a molecular weight of 196.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-pyrrolidin-1-ylhept-1-en-4-amine is sourced from PubChem (CID 79068793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).