3-prop-1-en-2-ylheptane-1,6-diimine

C10H18N2 — CID 140575865

IUPAC3-prop-1-en-2-ylheptane-1,6-diimine
SMILES[H]/N=C/CC(CC/C(C)=N/[H])C(=C)C
InChIInChI=1S/C10H18N2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10-12H,1,4-6H2,2-3H3/b11-7+,12-9+
InChIKeyHYIQKKBVNWJHQN-HNWKWBPYSA-N
MW166.27 g/mol
LogP3.04
Rot. Bonds6

About 3-prop-1-en-2-ylheptane-1,6-diimine

3-prop-1-en-2-ylheptane-1,6-diimine (PubChem CID 140575865) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-prop-1-en-2-ylheptane-1,6-diimine.

Molecular Properties

Compound Name3-prop-1-en-2-ylheptane-1,6-diimine
PubChem CID140575865
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-prop-1-en-2-ylheptane-1,6-diimine
SMILES[H]/N=C/CC(CC/C(C)=N/[H])C(=C)C
InChIInChI=1S/C10H18N2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10-12H,1,4-6H2,2-3H3/b11-7+,12-9+
InChIKeyHYIQKKBVNWJHQN-HNWKWBPYSA-N
XLogP3.04
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine
CID 166735022
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(2R)-2,4-dimethyl-3-methylideneheptan-1-imine
CID 89244769
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
2,5-Dimethylhept-1-en-3-imine
CID 91222633
5-Ethyl-2-methanimidoyl-6-methylcyclohex-2-en-1-imine
CID 91372737
4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine
CID 91435545
5,6-Dimethylhept-6-en-1-imine
CID 91525775
3-Methyl-5-methylideneheptan-2-imine
CID 123288208
4-Ethyl-7-methyloct-7-en-1-imine
CID 123335226
2-N,3-dimethyl-7-methylidenenonane-2,4-diimine
CID 123353686
3,5-Dimethyl-2-methylidenehexan-1-imine
CID 123392141

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-ylheptane-1,6-diimine?
The IUPAC name of 3-prop-1-en-2-ylheptane-1,6-diimine (CID 140575865) is 3-prop-1-en-2-ylheptane-1,6-diimine.
What is the SMILES notation for 3-prop-1-en-2-ylheptane-1,6-diimine?
The canonical SMILES for 3-prop-1-en-2-ylheptane-1,6-diimine is [H]/N=C/CC(CC/C(C)=N/[H])C(=C)C.
What is the InChIKey of 3-prop-1-en-2-ylheptane-1,6-diimine?
The InChIKey is HYIQKKBVNWJHQN-HNWKWBPYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10-12H,1,4-6H2,2-3H3/b11-7+,12-9+.
What are the key properties of 3-prop-1-en-2-ylheptane-1,6-diimine?
3-prop-1-en-2-ylheptane-1,6-diimine has a molecular weight of 166.27 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylheptane-1,6-diimine is sourced from PubChem (CID 140575865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).