N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine

C12H21N3 — CID 107976217

IUPACN-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
SMILESC=C(CC)CC(NCC)c1cn(C)cn1
InChIInChI=1S/C12H21N3/c1-5-10(3)7-11(13-6-2)12-8-15(4)9-14-12/h8-9,11,13H,3,5-7H2,1-2,4H3
InChIKeyTTWRTIGSABFOCO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.43
Rot. Bonds6

About N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine

N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine (PubChem CID 107976217) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
PubChem CID107976217
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
SMILESC=C(CC)CC(NCC)c1cn(C)cn1
InChIInChI=1S/C12H21N3/c1-5-10(3)7-11(13-6-2)12-8-15(4)9-14-12/h8-9,11,13H,3,5-7H2,1-2,4H3
InChIKeyTTWRTIGSABFOCO-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.43
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

[3-methylidene-1-(1-methylimidazol-4-yl)pentyl]hydrazine
CID 107979245
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-ethyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975605
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977818
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
N-ethyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038281
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107977346
N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine
CID 105163963
N-ethyl-3-methylidene-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105163864
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974435
1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine (CID 107976217) is N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine is C=C(CC)CC(NCC)c1cn(C)cn1.
What is the InChIKey of N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine?
The InChIKey is TTWRTIGSABFOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-10(3)7-11(13-6-2)12-8-15(4)9-14-12/h8-9,11,13H,3,5-7H2,1-2,4H3.
What are the key properties of N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine?
N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine is sourced from PubChem (CID 107976217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).