(Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine

C9H18N2O — CID 89354712

IUPAC(Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine
SMILES[H]/N=C(C)/C=C(\OC)[C@H](N)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)9(11)8(12-4)5-7(3)10/h5-6,9-10H,11H2,1-4H3/b8-5-,10-7+/t9-/m1/s1
InChIKeyUNLMWFBEEOHSBL-IGXYYKFOSA-N
MW170.26 g/mol
LogP1.54
Rot. Bonds4

About (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine

(Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine (PubChem CID 89354712) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine.

Molecular Properties

Compound Name(Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine
PubChem CID89354712
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine
SMILES[H]/N=C(C)/C=C(\OC)[C@H](N)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)9(11)8(12-4)5-7(3)10/h5-6,9-10H,11H2,1-4H3/b8-5-,10-7+/t9-/m1/s1
InChIKeyUNLMWFBEEOHSBL-IGXYYKFOSA-N
XLogP1.54
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine?
The IUPAC name of (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine (CID 89354712) is (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine.
What is the SMILES notation for (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine?
The canonical SMILES for (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine is [H]/N=C(C)/C=C(\OC)[C@H](N)C(C)C.
What is the InChIKey of (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine?
The InChIKey is UNLMWFBEEOHSBL-IGXYYKFOSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)9(11)8(12-4)5-7(3)10/h5-6,9-10H,11H2,1-4H3/b8-5-,10-7+/t9-/m1/s1.
What are the key properties of (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine?
(Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine has a molecular weight of 170.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-6-imino-4-methoxy-2-methylhept-4-en-3-amine is sourced from PubChem (CID 89354712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).