(Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol

C11H23NO — CID 139498020

IUPAC(Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol
SMILESCNCCCC(C/C=C\O)C(C)C
InChIInChI=1S/C11H23NO/c1-10(2)11(7-5-9-13)6-4-8-12-3/h5,9-13H,4,6-8H2,1-3H3/b9-5-
InChIKeyXROVZNVFMBDXMT-UITAMQMPSA-N
MW185.31 g/mol
LogP2.72
Rot. Bonds7

About (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol

(Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol (PubChem CID 139498020) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol.

Molecular Properties

Compound Name(Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol
PubChem CID139498020
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol
SMILESCNCCCC(C/C=C\O)C(C)C
InChIInChI=1S/C11H23NO/c1-10(2)11(7-5-9-13)6-4-8-12-3/h5,9-13H,4,6-8H2,1-3H3/b9-5-
InChIKeyXROVZNVFMBDXMT-UITAMQMPSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol?
The IUPAC name of (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol (CID 139498020) is (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol.
What is the SMILES notation for (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol?
The canonical SMILES for (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol is CNCCCC(C/C=C\O)C(C)C.
What is the InChIKey of (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol?
The InChIKey is XROVZNVFMBDXMT-UITAMQMPSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)11(7-5-9-13)6-4-8-12-3/h5,9-13H,4,6-8H2,1-3H3/b9-5-.
What are the key properties of (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol?
(Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(methylamino)-4-propan-2-ylhept-1-en-1-ol is sourced from PubChem (CID 139498020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).