[2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine

C14H29N3 — CID 105240416

IUPAC[2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine
SMILESCC(C)=CC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C14H29N3/c1-12(2)11-13(16-15)14(3,4)17-9-7-5-6-8-10-17/h11,13,16H,5-10,15H2,1-4H3
InChIKeyJHYIZNSZLSYMTL-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.44
Rot. Bonds4

About [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine

[2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine (PubChem CID 105240416) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine
PubChem CID105240416
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine
SMILESCC(C)=CC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C14H29N3/c1-12(2)11-13(16-15)14(3,4)17-9-7-5-6-8-10-17/h11,13,16H,5-10,15H2,1-4H3
InChIKeyJHYIZNSZLSYMTL-UHFFFAOYSA-N
XLogP2.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.44
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-(Azepan-1-yl)-2,5-dimethylhex-4-en-3-amine
CID 79179521
2-(azepan-1-yl)-N,2,5-trimethylhex-4-en-3-amine
CID 79179718
2-(azepan-1-yl)-N-ethyl-2,5-dimethylhex-4-en-3-amine
CID 79179929
2-(azepan-1-yl)-2,5-dimethyl-N-propylhex-4-en-3-amine
CID 79180123
3-hydrazinyl-N,N,2,5-tetramethylhex-4-en-2-amine
CID 105239123
N,N-diethyl-3-hydrazinyl-2,5-dimethylhex-5-en-2-amine
CID 105239399
N,N-diethyl-3-hydrazinyl-2,5-dimethylhex-4-en-2-amine
CID 105239432
(2,5-Dimethyl-2-pyrrolidin-1-ylhex-4-en-3-yl)hydrazine
CID 105239736
(2,5-Dimethyl-2-piperidin-1-ylhex-4-en-3-yl)hydrazine
CID 105239984
[2-(Azepan-1-yl)-2-methyloct-7-en-3-yl]hydrazine
CID 105240270
[4-(Azepan-1-yl)-4-methylpent-1-en-3-yl]hydrazine
CID 105240272
[2-(Azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine
CID 105240318

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine?
The IUPAC name of [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine (CID 105240416) is [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine.
What is the SMILES notation for [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine?
The canonical SMILES for [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine is CC(C)=CC(NN)C(C)(C)N1CCCCCC1.
What is the InChIKey of [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine?
The InChIKey is JHYIZNSZLSYMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)11-13(16-15)14(3,4)17-9-7-5-6-8-10-17/h11,13,16H,5-10,15H2,1-4H3.
What are the key properties of [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine?
[2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine has a molecular weight of 239.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-2,5-dimethylhex-4-en-3-yl]hydrazine is sourced from PubChem (CID 105240416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).