(Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine

C9H17NO — CID 135276254

IUPAC(Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C(/C)OC(C)C
InChIInChI=1S/C9H17NO/c1-6(2)11-9(5)7(3)8(4)10/h6,10H,1-5H3/b9-7-,10-8+
InChIKeyOJYNCIYPBNLPSB-FKJILZIQSA-N
MW155.24 g/mol
LogP2.74
Rot. Bonds3

About (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine

(Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine (PubChem CID 135276254) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine
PubChem CID135276254
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C(/C)OC(C)C
InChIInChI=1S/C9H17NO/c1-6(2)11-9(5)7(3)8(4)10/h6,10H,1-5H3/b9-7-,10-8+
InChIKeyOJYNCIYPBNLPSB-FKJILZIQSA-N
XLogP2.74
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-methyl-4-propan-2-yloxypent-3-en-2-imine?
The IUPAC name of (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine (CID 135276254) is (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine.
What is the SMILES notation for (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine?
The canonical SMILES for (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine is [H]/N=C(C)/C(C)=C(/C)OC(C)C.
What is the InChIKey of (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine?
The InChIKey is OJYNCIYPBNLPSB-FKJILZIQSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)11-9(5)7(3)8(4)10/h6,10H,1-5H3/b9-7-,10-8+.
What are the key properties of (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine?
(Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine has a molecular weight of 155.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine is sourced from PubChem (CID 135276254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).