(4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol

C9H17NO — CID 142218281

IUPAC(4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol
SMILESC=C(O)C/C(=C\N)CC(C)C
InChIInChI=1S/C9H17NO/c1-7(2)4-9(6-10)5-8(3)11/h6-7,11H,3-5,10H2,1-2H3/b9-6-
InChIKeyLAIIISHQBNMNAS-TWGQIWQCSA-N
MW155.24 g/mol
LogP2.34
Rot. Bonds4

About (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol

(4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol (PubChem CID 142218281) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol.

Molecular Properties

Compound Name(4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol
PubChem CID142218281
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol
SMILESC=C(O)C/C(=C\N)CC(C)C
InChIInChI=1S/C9H17NO/c1-7(2)4-9(6-10)5-8(3)11/h6-7,11H,3-5,10H2,1-2H3/b9-6-
InChIKeyLAIIISHQBNMNAS-TWGQIWQCSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol?
The IUPAC name of (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol (CID 142218281) is (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol.
What is the SMILES notation for (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol?
The canonical SMILES for (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol is C=C(O)C/C(=C\N)CC(C)C.
What is the InChIKey of (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol?
The InChIKey is LAIIISHQBNMNAS-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)4-9(6-10)5-8(3)11/h6-7,11H,3-5,10H2,1-2H3/b9-6-.
What are the key properties of (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol?
(4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol has a molecular weight of 155.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(aminomethylidene)-6-methylhept-1-en-2-ol is sourced from PubChem (CID 142218281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).