N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide

C11H23N3O — CID 134293258

IUPACN-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide
SMILESCN(C)C/C=C/CCN(C)CCNC=O
InChIInChI=1S/C11H23N3O/c1-13(2)8-5-4-6-9-14(3)10-7-12-11-15/h4-5,11H,6-10H2,1-3H3,(H,12,15)/b5-4+
InChIKeyKLVFKPCSNGMBCJ-SNAWJCMRSA-N
MW213.32 g/mol
LogP0.17
Rot. Bonds9

About N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide

N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide (PubChem CID 134293258) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide
PubChem CID134293258
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide
SMILESCN(C)C/C=C/CCN(C)CCNC=O
InChIInChI=1S/C11H23N3O/c1-13(2)8-5-4-6-9-14(3)10-7-12-11-15/h4-5,11H,6-10H2,1-3H3,(H,12,15)/b5-4+
InChIKeyKLVFKPCSNGMBCJ-SNAWJCMRSA-N
XLogP0.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide?
The IUPAC name of N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide (CID 134293258) is N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide?
The canonical SMILES for N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide is CN(C)C/C=C/CCN(C)CCNC=O.
What is the InChIKey of N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide?
The InChIKey is KLVFKPCSNGMBCJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13(2)8-5-4-6-9-14(3)10-7-12-11-15/h4-5,11H,6-10H2,1-3H3,(H,12,15)/b5-4+.
What are the key properties of N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide?
N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide has a molecular weight of 213.32 g/mol, XLogP of 0.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide is sourced from PubChem (CID 134293258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).