(Z)-2-propoxypent-2-en-1-amine

C8H17NO — CID 143076808

IUPAC(Z)-2-propoxypent-2-en-1-amine
SMILESCC/C=C(/CN)OCCC
InChIInChI=1S/C8H17NO/c1-3-5-8(7-9)10-6-4-2/h5H,3-4,6-7,9H2,1-2H3/b8-5-
InChIKeyCKXZALXYMLZNOB-YVMONPNESA-N
MW143.23 g/mol
LogP1.67
Rot. Bonds5

About (Z)-2-propoxypent-2-en-1-amine

(Z)-2-propoxypent-2-en-1-amine (PubChem CID 143076808) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-2-propoxypent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-propoxypent-2-en-1-amine
PubChem CID143076808
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z)-2-propoxypent-2-en-1-amine
SMILESCC/C=C(/CN)OCCC
InChIInChI=1S/C8H17NO/c1-3-5-8(7-9)10-6-4-2/h5H,3-4,6-7,9H2,1-2H3/b8-5-
InChIKeyCKXZALXYMLZNOB-YVMONPNESA-N
XLogP1.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.67
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 (Z)-2-propoxypent-2-en-1-amine?
The IUPAC name of (Z)-2-propoxypent-2-en-1-amine (CID 143076808) is (Z)-2-propoxypent-2-en-1-amine.
What is the SMILES notation for (Z)-2-propoxypent-2-en-1-amine?
The canonical SMILES for (Z)-2-propoxypent-2-en-1-amine is CC/C=C(/CN)OCCC.
What is the InChIKey of (Z)-2-propoxypent-2-en-1-amine?
The InChIKey is CKXZALXYMLZNOB-YVMONPNESA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(7-9)10-6-4-2/h5H,3-4,6-7,9H2,1-2H3/b8-5-.
What are the key properties of (Z)-2-propoxypent-2-en-1-amine?
(Z)-2-propoxypent-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propoxypent-2-en-1-amine is sourced from PubChem (CID 143076808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).