5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine

C10H19NO — CID 177320203

IUPAC5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine
SMILESC/C=C\OC(CCCN)=C(C)C
InChIInChI=1S/C10H19NO/c1-4-8-12-10(9(2)3)6-5-7-11/h4,8H,5-7,11H2,1-3H3/b8-4-
InChIKeyMLTYJRTYRWHZII-YWEYNIOJSA-N
MW169.27 g/mol
LogP2.57
Rot. Bonds5

About 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine

5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine (PubChem CID 177320203) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine.

Molecular Properties

Compound Name5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine
PubChem CID177320203
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine
SMILESC/C=C\OC(CCCN)=C(C)C
InChIInChI=1S/C10H19NO/c1-4-8-12-10(9(2)3)6-5-7-11/h4,8H,5-7,11H2,1-3H3/b8-4-
InChIKeyMLTYJRTYRWHZII-YWEYNIOJSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
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 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine?
The IUPAC name of 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine (CID 177320203) is 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine.
What is the SMILES notation for 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine?
The canonical SMILES for 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine is C/C=C\OC(CCCN)=C(C)C.
What is the InChIKey of 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine?
The InChIKey is MLTYJRTYRWHZII-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8-12-10(9(2)3)6-5-7-11/h4,8H,5-7,11H2,1-3H3/b8-4-.
What are the key properties of 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine?
5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine is sourced from PubChem (CID 177320203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).