(E)-2-methyl-6-(propylamino)hex-2-enoate

C10H18NO2- — CID 23065085

IUPAC(E)-2-methyl-6-(propylamino)hex-2-enoate
SMILESCCCNCCC/C=C(\C)C(=O)[O-]
InChIInChI=1S/C10H19NO2/c1-3-7-11-8-5-4-6-9(2)10(12)13/h6,11H,3-5,7-8H2,1-2H3,(H,12,13)/p-1/b9-6+
InChIKeyMPAIZMBUUDDIBI-RMKNXTFCSA-M
MW184.26 g/mol
LogP0.46
Rot. Bonds7

About (E)-2-methyl-6-(propylamino)hex-2-enoate

(E)-2-methyl-6-(propylamino)hex-2-enoate (PubChem CID 23065085) has the molecular formula C10H18NO2- and a molecular weight of 184.26 g/mol. Its IUPAC name is (E)-2-methyl-6-(propylamino)hex-2-enoate.

Molecular Properties

Compound Name(E)-2-methyl-6-(propylamino)hex-2-enoate
PubChem CID23065085
Molecular FormulaC10H18NO2-
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Name(E)-2-methyl-6-(propylamino)hex-2-enoate
SMILESCCCNCCC/C=C(\C)C(=O)[O-]
InChIInChI=1S/C10H19NO2/c1-3-7-11-8-5-4-6-9(2)10(12)13/h6,11H,3-5,7-8H2,1-2H3,(H,12,13)/p-1/b9-6+
InChIKeyMPAIZMBUUDDIBI-RMKNXTFCSA-M
XLogP0.46
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methylpent-2-enoate
CID 7006461
potassium (E)-2-methyl-6-sulfohex-2-enoate
CID 87119545
(E)-2-methyl-6-(3-oxobutanoyloxy)hex-2-enoate
CID 22024001
(E)-2-methylhex-2-enoate;2-methylidenehexanoate
CID 21275729
(E)-6,10-dihydroxy-2,6,10-trimethylpentadec-2-enoate
CID 59271430
(E)-5-(diethylamino)-2-methylpent-2-enoate
CID 23330271
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
N-(5-oxooctyl)-7-(propylamino)heptanamide
CID 59091179
(Z)-3-methylnon-3-en-2-one
CID 98567788
(Z)-N-propylhept-4-en-1-amine
CID 142957499
4-(propylamino)butanamide
CID 21468794
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-(propylamino)hex-2-enoate?
The IUPAC name of (E)-2-methyl-6-(propylamino)hex-2-enoate (CID 23065085) is (E)-2-methyl-6-(propylamino)hex-2-enoate.
What is the SMILES notation for (E)-2-methyl-6-(propylamino)hex-2-enoate?
The canonical SMILES for (E)-2-methyl-6-(propylamino)hex-2-enoate is CCCNCCC/C=C(\C)C(=O)[O-].
What is the InChIKey of (E)-2-methyl-6-(propylamino)hex-2-enoate?
The InChIKey is MPAIZMBUUDDIBI-RMKNXTFCSA-M. The full InChI is InChI=1S/C10H19NO2/c1-3-7-11-8-5-4-6-9(2)10(12)13/h6,11H,3-5,7-8H2,1-2H3,(H,12,13)/p-1/b9-6+.
What are the key properties of (E)-2-methyl-6-(propylamino)hex-2-enoate?
(E)-2-methyl-6-(propylamino)hex-2-enoate has a molecular weight of 184.26 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-(propylamino)hex-2-enoate is sourced from PubChem (CID 23065085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).