[2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine

C15H31N3 — CID 105240318

IUPAC[2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine
SMILESC=C(C)CCC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C15H31N3/c1-13(2)9-10-14(17-16)15(3,4)18-11-7-5-6-8-12-18/h14,17H,1,5-12,16H2,2-4H3
InChIKeyBZGKHUCQCWIUEM-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.83
Rot. Bonds6

About [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine

[2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine (PubChem CID 105240318) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine
PubChem CID105240318
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine
SMILESC=C(C)CCC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C15H31N3/c1-13(2)9-10-14(17-16)15(3,4)18-11-7-5-6-8-12-18/h14,17H,1,5-12,16H2,2-4H3
InChIKeyBZGKHUCQCWIUEM-UHFFFAOYSA-N
XLogP2.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.83
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)-N,2-dimethyl-5-methylideneheptan-3-amine
CID 79050789
2-(Azepan-1-yl)-2-methyl-5-methylideneheptan-3-amine
CID 79051221
2-(azepan-1-yl)-N-ethyl-2-methyl-5-methylideneheptan-3-amine
CID 79051532
2-(azepan-1-yl)-2-methyl-5-methylidene-N-propylheptan-3-amine
CID 79051991
2-(Azepan-1-yl)-2,5-dimethylhex-5-en-3-amine
CID 79184976
3-hydrazinyl-N,N,2-trimethyloct-7-en-2-amine
CID 105238851
3-hydrazinyl-N,N,2,6-tetramethylhept-6-en-2-amine
CID 105238939
3-hydrazinyl-N,N,2,5-tetramethylhex-5-en-2-amine
CID 105239086
3-hydrazinyl-N,N,2-trimethyl-5-methylideneheptan-2-amine
CID 105239093
N,N-diethyl-3-hydrazinyl-2-methyloct-7-en-2-amine
CID 105239197
N,N-diethyl-3-hydrazinyl-2,6-dimethylhept-6-en-2-amine
CID 105239271
N,N-diethyl-3-hydrazinyl-2-methylhept-6-en-2-amine
CID 105239284

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine?
The IUPAC name of [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine (CID 105240318) is [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine.
What is the SMILES notation for [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine?
The canonical SMILES for [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine is C=C(C)CCC(NN)C(C)(C)N1CCCCCC1.
What is the InChIKey of [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine?
The InChIKey is BZGKHUCQCWIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)9-10-14(17-16)15(3,4)18-11-7-5-6-8-12-18/h14,17H,1,5-12,16H2,2-4H3.
What are the key properties of [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine?
[2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine has a molecular weight of 253.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-2,6-dimethylhept-6-en-3-yl]hydrazine is sourced from PubChem (CID 105240318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).