[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine

C13H24N4 — CID 106552345

IUPAC[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine
SMILESCC(C)Cn1ccnc1N1CCCC(CN)C1
InChIInChI=1S/C13H24N4/c1-11(2)9-17-7-5-15-13(17)16-6-3-4-12(8-14)10-16/h5,7,11-12H,3-4,6,8-10,14H2,1-2H3
InChIKeyBVXNAZKCHFINNI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.71
Rot. Bonds4

About [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine

[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine (PubChem CID 106552345) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine
PubChem CID106552345
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine
SMILESCC(C)Cn1ccnc1N1CCCC(CN)C1
InChIInChI=1S/C13H24N4/c1-11(2)9-17-7-5-15-13(17)16-6-3-4-12(8-14)10-16/h5,7,11-12H,3-4,6,8-10,14H2,1-2H3
InChIKeyBVXNAZKCHFINNI-UHFFFAOYSA-N
XLogP1.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine
CID 106552327
[1-(1-methylimidazol-2-yl)piperidin-3-yl]methanamine
CID 62132389
[1-(1-propylimidazol-2-yl)pyrrolidin-3-yl]methanamine
CID 63975836
N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587780
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 62927503
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331
(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923
3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
CID 80680560
N-[1-[1-(1-ethylimidazol-2-yl)piperidin-3-yl]ethyl]propan-1-amine
CID 63853520
[1-(1-methylpyrazol-3-yl)piperidin-3-yl]methanamine
CID 112708877
3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63852836

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine (CID 106552345) is [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine is CC(C)Cn1ccnc1N1CCCC(CN)C1.
What is the InChIKey of [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine?
The InChIKey is BVXNAZKCHFINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)9-17-7-5-15-13(17)16-6-3-4-12(8-14)10-16/h5,7,11-12H,3-4,6,8-10,14H2,1-2H3.
What are the key properties of [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine?
[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 106552345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).