(5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine

C8H17N3O — CID 163444875

IUPAC(5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine
SMILESCOC1CC=C(CN)CC1NN
InChIInChI=1S/C8H17N3O/c1-12-8-3-2-6(5-9)4-7(8)11-10/h2,7-8,11H,3-5,9-10H2,1H3
InChIKeyBBQSCSOJNCETRE-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.49
Rot. Bonds3

About (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine

(5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine (PubChem CID 163444875) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine.

Molecular Properties

Compound Name(5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine
PubChem CID163444875
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine
SMILESCOC1CC=C(CN)CC1NN
InChIInChI=1S/C8H17N3O/c1-12-8-3-2-6(5-9)4-7(8)11-10/h2,7-8,11H,3-5,9-10H2,1H3
InChIKeyBBQSCSOJNCETRE-UHFFFAOYSA-N
XLogP-0.49
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-(3,4-dihydro-2H-pyran-6-yl)pentylhydrazine
CID 102650064
[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentyl]hydrazine
CID 102650150
[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxypentyl]hydrazine
CID 102650151
1-(3,4-dihydro-2H-pyran-6-yl)hexylhydrazine
CID 102650386
[2-(Cyclohexen-1-yl)-1-(2,3-dihydrofuran-5-yl)ethyl]hydrazine
CID 102654326
[3-Methyl-1-(oxolan-2-yl)but-2-enyl]hydrazine
CID 105229224
[1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxypropyl]hydrazine
CID 105246815
(2-Methoxy-6-methylhept-6-en-3-yl)hydrazine
CID 105246916
(2-Methoxy-5-methylideneheptan-3-yl)hydrazine
CID 105247082
(2-Methoxy-5-methylhex-4-en-3-yl)hydrazine
CID 105247116
[4-Methyl-1-(oxan-2-yl)pent-3-en-2-yl]hydrazine
CID 105267573
[1-(1-Methoxycyclopentyl)-3-methylbut-2-enyl]hydrazine
CID 105268865

Frequently Asked Questions

What is the IUPAC name of (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine?
The IUPAC name of (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine (CID 163444875) is (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine.
What is the SMILES notation for (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine?
The canonical SMILES for (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine is COC1CC=C(CN)CC1NN.
What is the InChIKey of (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine?
The InChIKey is BBQSCSOJNCETRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-12-8-3-2-6(5-9)4-7(8)11-10/h2,7-8,11H,3-5,9-10H2,1H3.
What are the key properties of (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine?
(5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine has a molecular weight of 171.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinyl-4-methoxycyclohexen-1-yl)methanamine is sourced from PubChem (CID 163444875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).