methylamino 2-methylhept-2-enoate

C9H17NO2 — CID 174825179

IUPACmethylamino 2-methylhept-2-enoate
SMILESCCCCC=C(C)C(=O)ONC
InChIInChI=1S/C9H17NO2/c1-4-5-6-7-8(2)9(11)12-10-3/h7,10H,4-6H2,1-3H3
InChIKeyJZWXUTWWUAQFSK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.80
Rot. Bonds5

About methylamino 2-methylhept-2-enoate

methylamino 2-methylhept-2-enoate (PubChem CID 174825179) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methylamino 2-methylhept-2-enoate.

Molecular Properties

Compound Namemethylamino 2-methylhept-2-enoate
PubChem CID174825179
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethylamino 2-methylhept-2-enoate
SMILESCCCCC=C(C)C(=O)ONC
InChIInChI=1S/C9H17NO2/c1-4-5-6-7-8(2)9(11)12-10-3/h7,10H,4-6H2,1-3H3
InChIKeyJZWXUTWWUAQFSK-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.80
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methylamino 2-methylhept-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-2-methylhept-2-enoate
CID 13122847
phosphanyl 2-methylhept-2-enoate
CID 174654525
CID 177343190
CID 177343190
methyl 2-methyloct-2-enoate
CID 71403822
propyl (E)-2-methylhept-2-enoate
CID 13122849
2-methylbut-2-enoyl 2-methylhept-2-enoate
CID 173170263
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
N,2-dimethylundec-2-enamide
CID 4562078
N',N',2-trimethylhept-2-enehydrazide
CID 151463961
2,4,4-trimethylpent-2-enoyl 2-methylhept-2-enoate
CID 173081152
tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
CID 101496063

Frequently Asked Questions

What is the IUPAC name of methylamino 2-methylhept-2-enoate?
The IUPAC name of methylamino 2-methylhept-2-enoate (CID 174825179) is methylamino 2-methylhept-2-enoate.
What is the SMILES notation for methylamino 2-methylhept-2-enoate?
The canonical SMILES for methylamino 2-methylhept-2-enoate is CCCCC=C(C)C(=O)ONC.
What is the InChIKey of methylamino 2-methylhept-2-enoate?
The InChIKey is JZWXUTWWUAQFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-6-7-8(2)9(11)12-10-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methylamino 2-methylhept-2-enoate?
methylamino 2-methylhept-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 2-methylhept-2-enoate is sourced from PubChem (CID 174825179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).