(Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine

C10H17N — CID 174004015

IUPAC(Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine
SMILESC/C=C\C/N=C/C(C)/C=C\C
InChIInChI=1S/C10H17N/c1-4-6-8-11-9-10(3)7-5-2/h4-7,9-10H,8H2,1-3H3/b6-4-,7-5-,11-9+
InChIKeyFPSMSRXEKKQNAC-BUYUYOMISA-N
MW151.25 g/mol
LogP2.85
Rot. Bonds4

About (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine

(Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine (PubChem CID 174004015) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine
PubChem CID174004015
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine
SMILESC/C=C\C/N=C/C(C)/C=C\C
InChIInChI=1S/C10H17N/c1-4-6-8-11-9-10(3)7-5-2/h4-7,9-10H,8H2,1-3H3/b6-4-,7-5-,11-9+
InChIKeyFPSMSRXEKKQNAC-BUYUYOMISA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine?
The IUPAC name of (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine (CID 174004015) is (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine?
The canonical SMILES for (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine is C/C=C\C/N=C/C(C)/C=C\C.
What is the InChIKey of (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine?
The InChIKey is FPSMSRXEKKQNAC-BUYUYOMISA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-8-11-9-10(3)7-5-2/h4-7,9-10H,8H2,1-3H3/b6-4-,7-5-,11-9+.
What are the key properties of (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine?
(Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine is sourced from PubChem (CID 174004015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).