N-butylhexa-1,2-dien-1-imine

C10H17N — CID 123621591

IUPACN-butylhexa-1,2-dien-1-imine
SMILESCCCC=C=C=NCCCC
InChIInChI=1S/C10H17N/c1-3-5-7-8-10-11-9-6-4-2/h7H,3-6,9H2,1-2H3
InChIKeyCQOGNDVNIFOZKF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds5

About N-butylhexa-1,2-dien-1-imine

N-butylhexa-1,2-dien-1-imine (PubChem CID 123621591) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-butylhexa-1,2-dien-1-imine.

Molecular Properties

Compound NameN-butylhexa-1,2-dien-1-imine
PubChem CID123621591
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-butylhexa-1,2-dien-1-imine
SMILESCCCC=C=C=NCCCC
InChIInChI=1S/C10H17N/c1-3-5-7-8-10-11-9-6-4-2/h7H,3-6,9H2,1-2H3
InChIKeyCQOGNDVNIFOZKF-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butylhex-1-en-1-imine
CID 88132918
N-hexylbut-1-en-1-imine
CID 88133285
N-propylpent-1-en-1-imine
CID 88133637
N-propylbut-1-en-1-imine
CID 123611765
1-Azacyclonona-5,6,7,8,9-pentaene
CID 141429820
N-ethylethenimine;hex-1-ene
CID 141832636
N-methylpent-1-en-1-imine
CID 148336777
N-ethylbut-1-en-1-imine
CID 152748831
N-ethylpent-1-en-1-imine
CID 154444997
N-pentyloct-1-en-1-imine
CID 163733808

Frequently Asked Questions

What is the IUPAC name of N-butylhexa-1,2-dien-1-imine?
The IUPAC name of N-butylhexa-1,2-dien-1-imine (CID 123621591) is N-butylhexa-1,2-dien-1-imine.
What is the SMILES notation for N-butylhexa-1,2-dien-1-imine?
The canonical SMILES for N-butylhexa-1,2-dien-1-imine is CCCC=C=C=NCCCC.
What is the InChIKey of N-butylhexa-1,2-dien-1-imine?
The InChIKey is CQOGNDVNIFOZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-7-8-10-11-9-6-4-2/h7H,3-6,9H2,1-2H3.
What are the key properties of N-butylhexa-1,2-dien-1-imine?
N-butylhexa-1,2-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhexa-1,2-dien-1-imine is sourced from PubChem (CID 123621591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).