N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide

C9H18N2O — CID 134406609

IUPACN-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
SMILESC=C(CCC)N(C=O)CCNC
InChIInChI=1S/C9H18N2O/c1-4-5-9(2)11(8-12)7-6-10-3/h8,10H,2,4-7H2,1,3H3
InChIKeyGRYIHSJHBKDWJF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.98
Rot. Bonds7

About N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide

N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide (PubChem CID 134406609) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
PubChem CID134406609
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
SMILESC=C(CCC)N(C=O)CCNC
InChIInChI=1S/C9H18N2O/c1-4-5-9(2)11(8-12)7-6-10-3/h8,10H,2,4-7H2,1,3H3
InChIKeyGRYIHSJHBKDWJF-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-(methylamino)ethyl]formamide
CID 23084470
N'-iodo-N-methyl-N'-propylethane-1,2-diamine
CID 126702167
N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide
CID 143677138
[butanoyl(formyl)amino] 4-(methylamino)butanoate
CID 155461543
N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide
CID 90250363
N-(methylaminomethyl)-N-propylhydroxylamine
CID 89116814
4-[formyl-[2-(methylamino)ethyl]amino]butanoic acid
CID 121478834
N-[2-(methylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 91320037
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
(5E)-5-N-methyl-5-N-[2-(methylamino)ethyl]hepta-1,5-diene-2,5-diamine
CID 178081175

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide (CID 134406609) is N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide is C=C(CCC)N(C=O)CCNC.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide?
The InChIKey is GRYIHSJHBKDWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-9(2)11(8-12)7-6-10-3/h8,10H,2,4-7H2,1,3H3.
What are the key properties of N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide?
N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide has a molecular weight of 170.26 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide is sourced from PubChem (CID 134406609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).