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

C14H27N3O — CID 178172493

IUPAC2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide
SMILESCC/C=C\C(CCN(C)C(=O)C(N)CCC)=N/C
InChIInChI=1S/C14H27N3O/c1-5-7-9-12(16-3)10-11-17(4)14(18)13(15)8-6-2/h7,9,13H,5-6,8,10-11,15H2,1-4H3/b9-7-,16-12+
InChIKeyCUVWBPCJSXNXRD-KOLAHXGDSA-N
MW253.39 g/mol
LogP2.00
Rot. Bonds8

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

2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide (PubChem CID 178172493) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide
PubChem CID178172493
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide
SMILESCC/C=C\C(CCN(C)C(=O)C(N)CCC)=N/C
InChIInChI=1S/C14H27N3O/c1-5-7-9-12(16-3)10-11-17(4)14(18)13(15)8-6-2/h7,9,13H,5-6,8,10-11,15H2,1-4H3/b9-7-,16-12+
InChIKeyCUVWBPCJSXNXRD-KOLAHXGDSA-N
XLogP2.00
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.00
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

N-(2,3-dihydropyridin-6-ylmethyl)pentanamide
CID 91391690
(2S)-2-amino-N-[(E)-hept-3-enyl]pentanamide
CID 118439860
(2S)-2-amino-N-hept-3-enylpentanamide
CID 123372780
N-heptan-4-yl-5,6-dimethyl-2,3-dihydropyridine-2-carboxamide
CID 137427086
2-amino-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]propanamide
CID 144330488
(2S)-1-ethyl-N-[(6-ethyl-2,3-dihydropyridin-3-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 144412656
N-ethyl-4-imino-6-methylhept-5-enamide
CID 144438644
(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
CID 154677655
(Z)-3-methylimino-N-propan-2-ylhept-4-enamide
CID 154677754
(3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide
CID 166986510
3-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpiperazin-2-one
CID 168920810
2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide
CID 178172696

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide?
The IUPAC name of 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide (CID 178172493) is 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide is CC/C=C\C(CCN(C)C(=O)C(N)CCC)=N/C.
What is the InChIKey of 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide?
The InChIKey is CUVWBPCJSXNXRD-KOLAHXGDSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-7-9-12(16-3)10-11-17(4)14(18)13(15)8-6-2/h7,9,13H,5-6,8,10-11,15H2,1-4H3/b9-7-,16-12+.
What are the key properties of 2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide?
2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]pentanamide has a molecular weight of 253.39 g/mol, XLogP of 2.00, 8 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]pentanamide is sourced from PubChem (CID 178172493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).