2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine

C13H24N4 — CID 114718520

IUPAC2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCC(C)N1CCC(Cn2cncc2CCN)C1
InChIInChI=1S/C13H24N4/c1-11(2)16-6-4-12(8-16)9-17-10-15-7-13(17)3-5-14/h7,10-12H,3-6,8-9,14H2,1-2H3
InChIKeyAPNXVTRIUDDWMU-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.11
Rot. Bonds5

About 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine

2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 114718520) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID114718520
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCC(C)N1CCC(Cn2cncc2CCN)C1
InChIInChI=1S/C13H24N4/c1-11(2)16-6-4-12(8-16)9-17-10-15-7-13(17)3-5-14/h7,10-12H,3-6,8-9,14H2,1-2H3
InChIKeyAPNXVTRIUDDWMU-UHFFFAOYSA-N
XLogP1.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114718521
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
[3-(cyclobutylmethyl)imidazol-4-yl]methanamine
CID 66148597
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082387
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150946
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
1-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114704323
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
CID 114719479
N-cyclopropyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106564291

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine (CID 114718520) is 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine is CC(C)N1CCC(Cn2cncc2CCN)C1.
What is the InChIKey of 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is APNXVTRIUDDWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)16-6-4-12(8-16)9-17-10-15-7-13(17)3-5-14/h7,10-12H,3-6,8-9,14H2,1-2H3.
What are the key properties of 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine?
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 114718520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).