[4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine

C12H25N3 — CID 105240272

IUPAC[4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine
SMILESC=CC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C12H25N3/c1-4-11(14-13)12(2,3)15-9-7-5-6-8-10-15/h4,11,14H,1,5-10,13H2,2-3H3
InChIKeyNSSNSFTXBPJVII-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.66
Rot. Bonds4

About [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine

[4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine (PubChem CID 105240272) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine.

Molecular Properties

Compound Name[4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine
PubChem CID105240272
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name[4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine
SMILESC=CC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C12H25N3/c1-4-11(14-13)12(2,3)15-9-7-5-6-8-10-15/h4,11,14H,1,5-10,13H2,2-3H3
InChIKeyNSSNSFTXBPJVII-UHFFFAOYSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.66
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

N-but-3-en-2-ylazepan-1-amine
CID 574624
4-(azepan-1-yl)-N-ethyl-4-methylpent-1-en-3-amine
CID 79050668
2-(Azepan-1-yl)-2-methylhept-6-en-3-amine
CID 79050940
4-(Azepan-1-yl)-4-methylpent-1-en-3-amine
CID 79051081
4-(azepan-1-yl)-N,4-dimethylpent-1-en-3-amine
CID 79051095
4-(azepan-1-yl)-4-methyl-N-propylpent-1-en-3-amine
CID 79051678
2-(Azepan-1-yl)-2-methylhex-5-en-3-amine
CID 79052532
3-hydrazinyl-N,N,2-trimethyloct-7-en-2-amine
CID 105238851
3-hydrazinyl-N,N,2-trimethylpent-4-en-2-amine
CID 105238854
3-hydrazinyl-N,N,2-trimethylhept-6-en-2-amine
CID 105238955
3-hydrazinyl-N,N,2-trimethylhex-5-en-2-amine
CID 105239017
N,N-diethyl-3-hydrazinyl-2-methyloct-7-en-2-amine
CID 105239197

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine?
The IUPAC name of [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine (CID 105240272) is [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine.
What is the SMILES notation for [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine?
The canonical SMILES for [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine is C=CC(NN)C(C)(C)N1CCCCCC1.
What is the InChIKey of [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine?
The InChIKey is NSSNSFTXBPJVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-11(14-13)12(2,3)15-9-7-5-6-8-10-15/h4,11,14H,1,5-10,13H2,2-3H3.
What are the key properties of [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine?
[4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine has a molecular weight of 211.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine is sourced from PubChem (CID 105240272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).