(2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine

C13H27N3 — CID 105239499

IUPAC(2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine
SMILESC=CCCCC(NN)C(C)(C)N1CCCC1
InChIInChI=1S/C13H27N3/c1-4-5-6-9-12(15-14)13(2,3)16-10-7-8-11-16/h4,12,15H,1,5-11,14H2,2-3H3
InChIKeyZUNYQTQNQDTDAN-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.05
Rot. Bonds7

About (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine

(2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine (PubChem CID 105239499) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine.

Molecular Properties

Compound Name(2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine
PubChem CID105239499
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine
SMILESC=CCCCC(NN)C(C)(C)N1CCCC1
InChIInChI=1S/C13H27N3/c1-4-5-6-9-12(15-14)13(2,3)16-10-7-8-11-16/h4,12,15H,1,5-11,14H2,2-3H3
InChIKeyZUNYQTQNQDTDAN-UHFFFAOYSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-But-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-amine
CID 175344960
2-methyl-N-propyl-2-pyrrolidin-1-yloct-7-en-3-amine
CID 79045818
2-Methyl-2-pyrrolidin-1-ylhept-6-en-3-amine
CID 79055882
2-Methyl-2-pyrrolidin-1-yloct-7-en-3-amine
CID 79055968
N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine
CID 79056072
N,2-dimethyl-2-pyrrolidin-1-yloct-7-en-3-amine
CID 79056476
3-Ethyl-3-pyrrolidin-1-yloct-7-en-4-amine
CID 79067829
3-ethyl-N-methyl-3-pyrrolidin-1-yloct-7-en-4-amine
CID 79067916
3-Ethyl-3-pyrrolidin-1-ylnon-8-en-4-amine
CID 79068388
N,3-dimethyl-3-pyrrolidin-1-yloct-7-en-4-amine
CID 79068574
N-ethyl-3-methyl-3-pyrrolidin-1-yloct-7-en-4-amine
CID 79068735
N,3-dimethyl-3-pyrrolidin-1-ylnon-8-en-4-amine
CID 79069123

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine?
The IUPAC name of (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine (CID 105239499) is (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine.
What is the SMILES notation for (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine?
The canonical SMILES for (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine is C=CCCCC(NN)C(C)(C)N1CCCC1.
What is the InChIKey of (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine?
The InChIKey is ZUNYQTQNQDTDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-5-6-9-12(15-14)13(2,3)16-10-7-8-11-16/h4,12,15H,1,5-11,14H2,2-3H3.
What are the key properties of (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine?
(2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine has a molecular weight of 225.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-pyrrolidin-1-yloct-7-en-3-yl)hydrazine is sourced from PubChem (CID 105239499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).