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

C14H29N3 — CID 105240330

IUPAC[2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine
SMILESC=CCCC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C14H29N3/c1-4-5-10-13(16-15)14(2,3)17-11-8-6-7-9-12-17/h4,13,16H,1,5-12,15H2,2-3H3
InChIKeyQQFRZKXHBDNVPR-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.44
Rot. Bonds6

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

[2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine (PubChem CID 105240330) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine
PubChem CID105240330
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine
SMILESC=CCCC(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C14H29N3/c1-4-5-10-13(16-15)14(2,3)17-11-8-6-7-9-12-17/h4,13,16H,1,5-12,15H2,2-3H3
InChIKeyQQFRZKXHBDNVPR-UHFFFAOYSA-N
XLogP2.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

(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-methylhept-6-en-3-yl]hydrazine?
The IUPAC name of [2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine (CID 105240330) is [2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine.
What is the SMILES notation for [2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine?
The canonical SMILES for [2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine is C=CCCC(NN)C(C)(C)N1CCCCCC1.
What is the InChIKey of [2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine?
The InChIKey is QQFRZKXHBDNVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-5-10-13(16-15)14(2,3)17-11-8-6-7-9-12-17/h4,13,16H,1,5-12,15H2,2-3H3.
What are the key properties of [2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine?
[2-(azepan-1-yl)-2-methylhept-6-en-3-yl]hydrazine has a molecular weight of 239.41 g/mol, XLogP of 2.44, 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-methylhept-6-en-3-yl]hydrazine is sourced from PubChem (CID 105240330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).