N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide

C9H18N2O — CID 164561820

IUPACN-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide
SMILESC/C(=C/CN(C)C)CCNC=O
InChIInChI=1S/C9H18N2O/c1-9(4-6-10-8-12)5-7-11(2)3/h5,8H,4,6-7H2,1-3H3,(H,10,12)/b9-5-
InChIKeyGAXMYWREZCCFSK-UITAMQMPSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds6

About N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide

N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide (PubChem CID 164561820) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide
PubChem CID164561820
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide
SMILESC/C(=C/CN(C)C)CCNC=O
InChIInChI=1S/C9H18N2O/c1-9(4-6-10-8-12)5-7-11(2)3/h5,8H,4,6-7H2,1-3H3,(H,10,12)/b9-5-
InChIKeyGAXMYWREZCCFSK-UITAMQMPSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide?
The IUPAC name of N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide (CID 164561820) is N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide.
What is the SMILES notation for N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide?
The canonical SMILES for N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide is C/C(=C/CN(C)C)CCNC=O.
What is the InChIKey of N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide?
The InChIKey is GAXMYWREZCCFSK-UITAMQMPSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(4-6-10-8-12)5-7-11(2)3/h5,8H,4,6-7H2,1-3H3,(H,10,12)/b9-5-.
What are the key properties of N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide?
N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide has a molecular weight of 170.26 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-(dimethylamino)-3-methylpent-3-enyl]formamide is sourced from PubChem (CID 164561820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).