(2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine

C13H27N3 — CID 105241226

IUPAC(2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine
SMILESCCC(C)(C(C=C(C)C)NN)N1CCCC1
InChIInChI=1S/C13H27N3/c1-5-13(4,16-8-6-7-9-16)12(15-14)10-11(2)3/h10,12,15H,5-9,14H2,1-4H3
InChIKeyGCHGXNFWLLQUJI-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.05
Rot. Bonds5

About (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine

(2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine (PubChem CID 105241226) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine.

Molecular Properties

Compound Name(2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine
PubChem CID105241226
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine
SMILESCCC(C)(C(C=C(C)C)NN)N1CCCC1
InChIInChI=1S/C13H27N3/c1-5-13(4,16-8-6-7-9-16)12(15-14)10-11(2)3/h10,12,15H,5-9,14H2,1-4H3
InChIKeyGCHGXNFWLLQUJI-UHFFFAOYSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
CID 79178634
N,2,5-trimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
CID 79178854
N-ethyl-2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
CID 79179075
2,5-dimethyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine
CID 79179293
5-Ethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine
CID 79179525
5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
CID 79179722
N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine
CID 79179933
5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine
CID 79180127
2,5-Dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
CID 79180283
3-hydrazinyl-N,N,2,5-tetramethylhex-4-en-2-amine
CID 105239123
N,N-diethyl-3-hydrazinyl-2,5-dimethylhex-4-en-2-amine
CID 105239432
(4-Methyl-4-pyrrolidin-1-ylpent-1-en-3-yl)hydrazine
CID 105239502

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine?
The IUPAC name of (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine (CID 105241226) is (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine.
What is the SMILES notation for (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine?
The canonical SMILES for (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine is CCC(C)(C(C=C(C)C)NN)N1CCCC1.
What is the InChIKey of (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine?
The InChIKey is GCHGXNFWLLQUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-13(4,16-8-6-7-9-16)12(15-14)10-11(2)3/h10,12,15H,5-9,14H2,1-4H3.
What are the key properties of (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine?
(2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine has a molecular weight of 225.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-yl)hydrazine is sourced from PubChem (CID 105241226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).