2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide

C12H23N3O — CID 178172696

IUPAC2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide
SMILESCC/C=C\C(CCN(C)C(=O)C(C)N)=N/C
InChIInChI=1S/C12H23N3O/c1-5-6-7-11(14-3)8-9-15(4)12(16)10(2)13/h6-7,10H,5,8-9,13H2,1-4H3/b7-6-,14-11+
InChIKeyVXNGTFCSWIABTA-CVWCMPNTSA-N
MW225.34 g/mol
LogP1.22
Rot. Bonds6

About 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide

2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide (PubChem CID 178172696) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide
PubChem CID178172696
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide
SMILESCC/C=C\C(CCN(C)C(=O)C(C)N)=N/C
InChIInChI=1S/C12H23N3O/c1-5-6-7-11(14-3)8-9-15(4)12(16)10(2)13/h6-7,10H,5,8-9,13H2,1-4H3/b7-6-,14-11+
InChIKeyVXNGTFCSWIABTA-CVWCMPNTSA-N
XLogP1.22
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-ethyl-2,3-dihydropyridine-2-carboxamide
CID 70224369
N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70287441
2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide
CID 123585481
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
CID 123921962
2-N,6-N-dimethyl-2,3-dihydropyridine-2,6-dicarboxamide
CID 137241059
N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide
CID 137427086
N-[(3S,5E)-4-iminonona-5,8-dien-3-yl]-N-methylpropanamide
CID 137466839
N-[(Z)-3-methyliminohept-4-enyl]acetamide
CID 142959972
2-amino-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]propanamide
CID 144330488
N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide
CID 146229409
(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
CID 154677655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide?
The IUPAC name of 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide (CID 178172696) is 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide is CC/C=C\C(CCN(C)C(=O)C(C)N)=N/C.
What is the InChIKey of 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide?
The InChIKey is VXNGTFCSWIABTA-CVWCMPNTSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-7-11(14-3)8-9-15(4)12(16)10(2)13/h6-7,10H,5,8-9,13H2,1-4H3/b7-6-,14-11+.
What are the key properties of 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide?
2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide has a molecular weight of 225.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide is sourced from PubChem (CID 178172696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).