N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine

C13H21N3 — CID 115901551

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1nccn1C
InChIInChI=1S/C13H21N3/c1-10(12-14-7-8-16(12)2)15-9-13(5-6-13)11-3-4-11/h7-8,10-11,15H,3-6,9H2,1-2H3
InChIKeyQUCIUQRDDCKIRU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 115901551) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID115901551
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1nccn1C
InChIInChI=1S/C13H21N3/c1-10(12-14-7-8-16(12)2)15-9-13(5-6-13)11-3-4-11/h7-8,10-11,15H,3-6,9H2,1-2H3
InChIKeyQUCIUQRDDCKIRU-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine with MolForge

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093870
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667
1-(1-methylimidazol-2-yl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]ethanamine
CID 167804390
2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64929623
3-ethyl-2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64923315
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
2,2,3,3-tetramethyl-N-[1-(1-methylimidazol-2-yl)ethyl]cyclopropan-1-amine
CID 79352871
[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol
CID 103914086
1-(1-methylimidazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682912
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine (CID 115901551) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine is CC(NCC1(C2CC2)CC1)c1nccn1C.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is QUCIUQRDDCKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(12-14-7-8-16(12)2)15-9-13(5-6-13)11-3-4-11/h7-8,10-11,15H,3-6,9H2,1-2H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 115901551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).