N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine

C14H28N2 — CID 79178854

IUPACN,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCC(C)(C(C=C(C)C)NC)N1CCCC1
InChIInChI=1S/C14H28N2/c1-6-14(4,16-9-7-8-10-16)13(15-5)11-12(2)3/h11,13,15H,6-10H2,1-5H3
InChIKeyOTJCHXJCPVJZGC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds5

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

N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine (PubChem CID 79178854) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
PubChem CID79178854
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCC(C)(C(C=C(C)C)NC)N1CCCC1
InChIInChI=1S/C14H28N2/c1-6-14(4,16-9-7-8-10-16)13(15-5)11-12(2)3/h11,13,15H,6-10H2,1-5H3
InChIKeyOTJCHXJCPVJZGC-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
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 N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The IUPAC name of N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine (CID 79178854) is N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine.
What is the SMILES notation for N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The canonical SMILES for N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine is CCC(C)(C(C=C(C)C)NC)N1CCCC1.
What is the InChIKey of N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The InChIKey is OTJCHXJCPVJZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-14(4,16-9-7-8-10-16)13(15-5)11-12(2)3/h11,13,15H,6-10H2,1-5H3.
What are the key properties of N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine is sourced from PubChem (CID 79178854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).