O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine

C8H14N2O — CID 176556848

IUPACO-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine
SMILESC=C/C(ON)=C(/N)C=C(C)C
InChIInChI=1S/C8H14N2O/c1-4-8(11-10)7(9)5-6(2)3/h4-5H,1,9-10H2,2-3H3/b8-7-
InChIKeyBNLXTYOSISJLEZ-FPLPWBNLSA-N
MW154.21 g/mol
LogP1.20
Rot. Bonds3

About O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine

O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine (PubChem CID 176556848) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine
PubChem CID176556848
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameO-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine
SMILESC=C/C(ON)=C(/N)C=C(C)C
InChIInChI=1S/C8H14N2O/c1-4-8(11-10)7(9)5-6(2)3/h4-5H,1,9-10H2,2-3H3/b8-7-
InChIKeyBNLXTYOSISJLEZ-FPLPWBNLSA-N
XLogP1.20
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

O-[(2Z)-3-methylpenta-2,4-dien-2-yl]hydroxylamine
CID 89307722
(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610850
(4Z)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 138459729
amino prop-2-enoate;hydrofluoride
CID 174948745
ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
(2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide
CID 142926888
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
sodium;prop-2-enamide;acetate
CID 87656488
5-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
CID 126636597
O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine
CID 89191729
azanium;prop-2-enamide;acetate
CID 172806462
3-methylpenta-2,4-dien-2-amine
CID 141358440

Frequently Asked Questions

What is the IUPAC name of O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine?
The IUPAC name of O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine (CID 176556848) is O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine.
What is the SMILES notation for O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine?
The canonical SMILES for O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine is C=C/C(ON)=C(/N)C=C(C)C.
What is the InChIKey of O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine?
The InChIKey is BNLXTYOSISJLEZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-8(11-10)7(9)5-6(2)3/h4-5H,1,9-10H2,2-3H3/b8-7-.
What are the key properties of O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine?
O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine has a molecular weight of 154.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3Z)-4-amino-6-methylhepta-1,3,5-trien-3-yl]hydroxylamine is sourced from PubChem (CID 176556848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).