(2Z,4Z)-N-propylhexa-2,4-dien-1-imine

C9H15N — CID 118266711

IUPAC(2Z,4Z)-N-propylhexa-2,4-dien-1-imine
SMILESC/C=C\C=C/C=N/CCC
InChIInChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h3,5-7,9H,4,8H2,1-2H3/b5-3-,7-6-,10-9+
InChIKeyXAMXUZLPMCNKBX-RDCHHWFYSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds4

About (2Z,4Z)-N-propylhexa-2,4-dien-1-imine

(2Z,4Z)-N-propylhexa-2,4-dien-1-imine (PubChem CID 118266711) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z,4Z)-N-propylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-N-propylhexa-2,4-dien-1-imine
PubChem CID118266711
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z,4Z)-N-propylhexa-2,4-dien-1-imine
SMILESC/C=C\C=C/C=N/CCC
InChIInChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h3,5-7,9H,4,8H2,1-2H3/b5-3-,7-6-,10-9+
InChIKeyXAMXUZLPMCNKBX-RDCHHWFYSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
CID 6440149
N-Tert-butylcrotonaldimine
CID 5702557
2H-azepine
CID 9964069
Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
(Z)-N-tert-butylbut-2-en-1-imine
CID 5356232
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
2-Aza-2,4,6-heptatriene
CID 59945193
Azaheptatriene
CID 86115777
1,2-Diazacyclododeca-2,4,6,8,10,12-hexaene
CID 90901790
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
Diazacyclotetradecine
CID 129693440
(E)-5-Azahepta-2,4-diene
CID 5463161

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-propylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-N-propylhexa-2,4-dien-1-imine (CID 118266711) is (2Z,4Z)-N-propylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-N-propylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-N-propylhexa-2,4-dien-1-imine is C/C=C\C=C/C=N/CCC.
What is the InChIKey of (2Z,4Z)-N-propylhexa-2,4-dien-1-imine?
The InChIKey is XAMXUZLPMCNKBX-RDCHHWFYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-6-7-9-10-8-4-2/h3,5-7,9H,4,8H2,1-2H3/b5-3-,7-6-,10-9+.
What are the key properties of (2Z,4Z)-N-propylhexa-2,4-dien-1-imine?
(2Z,4Z)-N-propylhexa-2,4-dien-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-propylhexa-2,4-dien-1-imine is sourced from PubChem (CID 118266711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).