2-propan-2-ylhex-4-en-1-imine

C9H17N — CID 123137099

IUPAC2-propan-2-ylhex-4-en-1-imine
SMILES[H]/N=C/C(CC=CC)C(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-9(7-10)8(2)3/h4-5,7-10H,6H2,1-3H3/b5-4?,10-7+
InChIKeyIFJOVMFEVDESMX-HBPCAZATSA-N
MW139.24 g/mol
LogP2.87
Rot. Bonds4

About 2-propan-2-ylhex-4-en-1-imine

2-propan-2-ylhex-4-en-1-imine (PubChem CID 123137099) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-propan-2-ylhex-4-en-1-imine.

Molecular Properties

Compound Name2-propan-2-ylhex-4-en-1-imine
PubChem CID123137099
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-propan-2-ylhex-4-en-1-imine
SMILES[H]/N=C/C(CC=CC)C(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-9(7-10)8(2)3/h4-5,7-10H,6H2,1-3H3/b5-4?,10-7+
InChIKeyIFJOVMFEVDESMX-HBPCAZATSA-N
XLogP2.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-[(E)-(2-isopropyl-5-methyl-hex-4-enylidene)amino]guanidine
CID 9573054
6,6,6-Trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine
CID 91136503
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
2-Methyldec-3-en-1-imine
CID 57110449
1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
3-Propan-2-ylpent-4-en-1-imine
CID 58352436
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
(NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine
CID 88781933
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
2-Cyclohex-2-en-1-ylethanimine
CID 89097602
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylhex-4-en-1-imine?
The IUPAC name of 2-propan-2-ylhex-4-en-1-imine (CID 123137099) is 2-propan-2-ylhex-4-en-1-imine.
What is the SMILES notation for 2-propan-2-ylhex-4-en-1-imine?
The canonical SMILES for 2-propan-2-ylhex-4-en-1-imine is [H]/N=C/C(CC=CC)C(C)C.
What is the InChIKey of 2-propan-2-ylhex-4-en-1-imine?
The InChIKey is IFJOVMFEVDESMX-HBPCAZATSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-6-9(7-10)8(2)3/h4-5,7-10H,6H2,1-3H3/b5-4?,10-7+.
What are the key properties of 2-propan-2-ylhex-4-en-1-imine?
2-propan-2-ylhex-4-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylhex-4-en-1-imine is sourced from PubChem (CID 123137099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).