(E)-1-amino-2-methanimidoylhex-1-en-3-ol

C7H14N2O — CID 144877709

IUPAC(E)-1-amino-2-methanimidoylhex-1-en-3-ol
SMILES[H]/N=C/C(=C\N)C(O)CCC
InChIInChI=1S/C7H14N2O/c1-2-3-7(10)6(4-8)5-9/h4-5,7-8,10H,2-3,9H2,1H3/b6-5+,8-4+
InChIKeyYYJROKOUZSBRBU-PTFSRLPTSA-N
MW142.20 g/mol
LogP0.64
Rot. Bonds4

About (E)-1-amino-2-methanimidoylhex-1-en-3-ol

(E)-1-amino-2-methanimidoylhex-1-en-3-ol (PubChem CID 144877709) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-1-amino-2-methanimidoylhex-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-amino-2-methanimidoylhex-1-en-3-ol
PubChem CID144877709
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(E)-1-amino-2-methanimidoylhex-1-en-3-ol
SMILES[H]/N=C/C(=C\N)C(O)CCC
InChIInChI=1S/C7H14N2O/c1-2-3-7(10)6(4-8)5-9/h4-5,7-8,10H,2-3,9H2,1H3/b6-5+,8-4+
InChIKeyYYJROKOUZSBRBU-PTFSRLPTSA-N
XLogP0.64
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine
CID 147081796
(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine
CID 170964623
methyl 2-hydroxypentanimidate
CID 130126876
octane-4,5-diol;hydrate
CID 141056272
ethyl (2S)-2-amino-6-imino-5-oxohexanoate
CID 126555769
ethyl 2-amino-6-imino-5-oxohexanoate
CID 135219340
methyl 2-hydroxypentanoate
CID 543619
(2R)-1,2,5-trihydroxyoctane-3,4-dione
CID 123622046
hex-1-ene-2,3-diol
CID 87891998
3-hydroxyhexan-2-one
CID 15525237
undeca-4,7-diyn-6-ol
CID 15932781
3-methanimidoylpent-2-en-2-amine
CID 173477121

Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-2-methanimidoylhex-1-en-3-ol?
The IUPAC name of (E)-1-amino-2-methanimidoylhex-1-en-3-ol (CID 144877709) is (E)-1-amino-2-methanimidoylhex-1-en-3-ol.
What is the SMILES notation for (E)-1-amino-2-methanimidoylhex-1-en-3-ol?
The canonical SMILES for (E)-1-amino-2-methanimidoylhex-1-en-3-ol is [H]/N=C/C(=C\N)C(O)CCC.
What is the InChIKey of (E)-1-amino-2-methanimidoylhex-1-en-3-ol?
The InChIKey is YYJROKOUZSBRBU-PTFSRLPTSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-7(10)6(4-8)5-9/h4-5,7-8,10H,2-3,9H2,1H3/b6-5+,8-4+.
What are the key properties of (E)-1-amino-2-methanimidoylhex-1-en-3-ol?
(E)-1-amino-2-methanimidoylhex-1-en-3-ol has a molecular weight of 142.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-2-methanimidoylhex-1-en-3-ol is sourced from PubChem (CID 144877709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).