N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine

C11H20N2 — CID 155065837

IUPACN-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine
SMILESC/C=N/C=C(CCC)\N=C\CCC
InChIInChI=1S/C11H20N2/c1-4-7-9-13-11(8-5-2)10-12-6-3/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-6+,13-9+
InChIKeyBQVTUOIWXRPPKB-ZEFRJHMISA-N
MW180.29 g/mol
LogP3.59
Rot. Bonds6

About N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine

N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine (PubChem CID 155065837) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine.

Molecular Properties

Compound NameN-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine
PubChem CID155065837
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine
SMILESC/C=N/C=C(CCC)\N=C\CCC
InChIInChI=1S/C11H20N2/c1-4-7-9-13-11(8-5-2)10-12-6-3/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-6+,13-9+
InChIKeyBQVTUOIWXRPPKB-ZEFRJHMISA-N
XLogP3.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine?
The IUPAC name of N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine (CID 155065837) is N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine.
What is the SMILES notation for N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine?
The canonical SMILES for N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine is C/C=N/C=C(CCC)\N=C\CCC.
What is the InChIKey of N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine?
The InChIKey is BQVTUOIWXRPPKB-ZEFRJHMISA-N. The full InChI is InChI=1S/C11H20N2/c1-4-7-9-13-11(8-5-2)10-12-6-3/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-6+,13-9+.
What are the key properties of N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine?
N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine has a molecular weight of 180.29 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine is sourced from PubChem (CID 155065837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).