2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine

C16H32N2 — CID 79179293

IUPAC2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCCNC(C=C(C)C)C(C)(CC)N1CCCC1
InChIInChI=1S/C16H32N2/c1-6-10-17-15(13-14(3)4)16(5,7-2)18-11-8-9-12-18/h13,15,17H,6-12H2,1-5H3
InChIKeyWUVPBBHVEPKWCK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.59
Rot. Bonds7

About 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine

2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine (PubChem CID 79179293) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine
PubChem CID79179293
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCCNC(C=C(C)C)C(C)(CC)N1CCCC1
InChIInChI=1S/C16H32N2/c1-6-10-17-15(13-14(3)4)16(5,7-2)18-11-8-9-12-18/h13,15,17H,6-12H2,1-5H3
InChIKeyWUVPBBHVEPKWCK-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.59
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 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The IUPAC name of 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine (CID 79179293) is 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The canonical SMILES for 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine is CCCNC(C=C(C)C)C(C)(CC)N1CCCC1.
What is the InChIKey of 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The InChIKey is WUVPBBHVEPKWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-10-17-15(13-14(3)4)16(5,7-2)18-11-8-9-12-18/h13,15,17H,6-12H2,1-5H3.
What are the key properties of 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine is sourced from PubChem (CID 79179293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).