N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine

C13H23N3 — CID 102640713

IUPACN-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCc1nccn1C)CNCC
InChIInChI=1S/C13H23N3/c1-5-13(3,11-14-6-2)8-7-12-15-9-10-16(12)4/h5,9-10,14H,1,6-8,11H2,2-4H3
InChIKeyASJWBBCWDNEXAP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.15
Rot. Bonds7

About N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine

N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine (PubChem CID 102640713) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine
PubChem CID102640713
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCc1nccn1C)CNCC
InChIInChI=1S/C13H23N3/c1-5-13(3,11-14-6-2)8-7-12-15-9-10-16(12)4/h5,9-10,14H,1,6-8,11H2,2-4H3
InChIKeyASJWBBCWDNEXAP-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol
CID 102641813
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102640727
N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 114531438
azane;1-methyl-2-propylimidazole
CID 174525892
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
methanamine;1-methyl-2-propylimidazole
CID 164902083
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
2-[3-(chloromethyl)-3-methylhexyl]-1-methylimidazole
CID 114532702
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine
CID 114531445
2-[3,3-bis(chloromethyl)pentyl]-1-methylimidazole
CID 114532819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine (CID 102640713) is N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine is C=CC(C)(CCc1nccn1C)CNCC.
What is the InChIKey of N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine?
The InChIKey is ASJWBBCWDNEXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-13(3,11-14-6-2)8-7-12-15-9-10-16(12)4/h5,9-10,14H,1,6-8,11H2,2-4H3.
What are the key properties of N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine?
N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).