3-propylhept-3-en-2-imine

C10H18N+ — CID 101387821

IUPAC3-propylhept-3-en-2-imine
SMILES[H]/N=C(C)/C(=[C+]/CCC)CCC
InChIInChI=1S/C10H18N/c1-4-6-8-10(7-5-2)9(3)11/h11H,4-7H2,1-3H3/q+1/b11-9+
InChIKeyOLCDEXZVHPIKTO-PKNBQFBNSA-N
MW152.26 g/mol
LogP3.36
Rot. Bonds5

About 3-propylhept-3-en-2-imine

3-propylhept-3-en-2-imine (PubChem CID 101387821) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 3-propylhept-3-en-2-imine.

Molecular Properties

Compound Name3-propylhept-3-en-2-imine
PubChem CID101387821
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name3-propylhept-3-en-2-imine
SMILES[H]/N=C(C)/C(=[C+]/CCC)CCC
InChIInChI=1S/C10H18N/c1-4-6-8-10(7-5-2)9(3)11/h11H,4-7H2,1-3H3/q+1/b11-9+
InChIKeyOLCDEXZVHPIKTO-PKNBQFBNSA-N
XLogP3.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine
CID 170257046
2-Ethylidenecyclohexan-1-imine
CID 14026307
2-Butyl-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 18620279
(2E)-2-ethylidenecyclohexan-1-imine
CID 20159053
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
(2E)-2-propylidenecyclohexan-1-imine
CID 21514603
2,3,5,6-Tetramethylcyclohexa-2,5-diene-1,4-diimine
CID 57128446
2-Propylidenecyclohexan-1-imine
CID 68136074
(2Z)-2-ethylidenecyclohexan-1-imine
CID 68255932
4-Ethyl-3-methylhex-3-en-2-imine
CID 88311275
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332

Frequently Asked Questions

What is the IUPAC name of 3-propylhept-3-en-2-imine?
The IUPAC name of 3-propylhept-3-en-2-imine (CID 101387821) is 3-propylhept-3-en-2-imine.
What is the SMILES notation for 3-propylhept-3-en-2-imine?
The canonical SMILES for 3-propylhept-3-en-2-imine is [H]/N=C(C)/C(=[C+]/CCC)CCC.
What is the InChIKey of 3-propylhept-3-en-2-imine?
The InChIKey is OLCDEXZVHPIKTO-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N/c1-4-6-8-10(7-5-2)9(3)11/h11H,4-7H2,1-3H3/q+1/b11-9+.
What are the key properties of 3-propylhept-3-en-2-imine?
3-propylhept-3-en-2-imine has a molecular weight of 152.26 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylhept-3-en-2-imine is sourced from PubChem (CID 101387821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).