[2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine

C13H27N3 — CID 105240367

IUPAC[2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine
SMILESC=CCC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C13H27N3/c1-4-9-12(15-14)13(2,3)16-10-7-5-6-8-11-16/h4,12,15H,1,5-11,14H2,2-3H3
InChIKeyDJKBPMADKGTSNU-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.05
Rot. Bonds5

About [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine

[2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine (PubChem CID 105240367) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine
PubChem CID105240367
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine
SMILESC=CCC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C13H27N3/c1-4-9-12(15-14)13(2,3)16-10-7-5-6-8-11-16/h4,12,15H,1,5-11,14H2,2-3H3
InChIKeyDJKBPMADKGTSNU-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

(3S,6S)-6-ethenyl-1-methylazepan-3-amine
CID 174044299
2-(azepan-1-yl)-N,2-dimethylhept-6-en-3-amine
CID 79050662
2-(Azepan-1-yl)-2-methylhept-6-en-3-amine
CID 79050940
4-(Azepan-1-yl)-4-methylpent-1-en-3-amine
CID 79051081
2-(azepan-1-yl)-N-ethyl-2-methylhex-5-en-3-amine
CID 79051669
2-(Azepan-1-yl)-2-methyloct-7-en-3-amine
CID 79051975
2-(Azepan-1-yl)-2-methylhex-5-en-3-amine
CID 79052532
2-(azepan-1-yl)-N,2-dimethylhex-5-en-3-amine
CID 79052540
3-hydrazinyl-N,N,2-trimethyloct-7-en-2-amine
CID 105238851
3-hydrazinyl-N,N,2-trimethylhept-6-en-2-amine
CID 105238955
3-hydrazinyl-N,N,2-trimethylhex-5-en-2-amine
CID 105239017
3-hydrazinyl-N,N,2,5-tetramethylhex-5-en-2-amine
CID 105239086

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine?
The IUPAC name of [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine (CID 105240367) is [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine.
What is the SMILES notation for [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine?
The canonical SMILES for [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine is C=CCC(NN)C(C)(C)N1CCCCCC1.
What is the InChIKey of [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine?
The InChIKey is DJKBPMADKGTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-9-12(15-14)13(2,3)16-10-7-5-6-8-11-16/h4,12,15H,1,5-11,14H2,2-3H3.
What are the key properties of [2-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine?
[2-(azepan-1-yl)-2-methylhex-5-en-3-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-(azepan-1-yl)-2-methylhex-5-en-3-yl]hydrazine is sourced from PubChem (CID 105240367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).