(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide

C9H16N2O — CID 123921962

IUPAC(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
SMILES[H]/N=C(\C=C/C)C(=O)N(C)C(C)C
InChIInChI=1S/C9H16N2O/c1-5-6-8(10)9(12)11(4)7(2)3/h5-7,10H,1-4H3/b6-5-,10-8+
InChIKeyYKTWOQPCBJJSKR-UGXDAERVSA-N
MW168.24 g/mol
LogP1.45
Rot. Bonds3

About (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide

(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide (PubChem CID 123921962) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide.

Molecular Properties

Compound Name(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
PubChem CID123921962
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
SMILES[H]/N=C(\C=C/C)C(=O)N(C)C(C)C
InChIInChI=1S/C9H16N2O/c1-5-6-8(10)9(12)11(4)7(2)3/h5-7,10H,1-4H3/b6-5-,10-8+
InChIKeyYKTWOQPCBJJSKR-UGXDAERVSA-N
XLogP1.45
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-trimethyl-2H-pyrrole-5-carboxamide
CID 118540820
(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide
CID 123601777
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
N,N-diethyl-2,3-dihydropyridine-6-carboxamide
CID 123947366
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
N-[(3S,5E)-4-iminonona-5,8-dien-3-yl]-N-methylpropanamide
CID 137466839
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
N-ethyl-N,2-dimethyl-2,3-dihydropyridine-6-carboxamide
CID 143639624
2-amino-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]propanamide
CID 144330488
(Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide
CID 145282443
N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide
CID 146229409

Frequently Asked Questions

What is the IUPAC name of (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide?
The IUPAC name of (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide (CID 123921962) is (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide.
What is the SMILES notation for (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide?
The canonical SMILES for (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide is [H]/N=C(\C=C/C)C(=O)N(C)C(C)C.
What is the InChIKey of (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide?
The InChIKey is YKTWOQPCBJJSKR-UGXDAERVSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-6-8(10)9(12)11(4)7(2)3/h5-7,10H,1-4H3/b6-5-,10-8+.
What are the key properties of (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide?
(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide has a molecular weight of 168.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide is sourced from PubChem (CID 123921962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).