(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol

C13H24N4O — CID 95883066

IUPAC(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESCC(C)Cn1cncc1CNC[C@]1(O)CCNC1
InChIInChI=1S/C13H24N4O/c1-11(2)7-17-10-16-6-12(17)5-15-9-13(18)3-4-14-8-13/h6,10-11,14-15,18H,3-5,7-9H2,1-2H3/t13-/m0/s1
InChIKeyHTSJEAXXEMRYQH-ZDUSSCGKSA-N
MW252.36 g/mol
LogP0.35
Rot. Bonds6

About (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol

(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol (PubChem CID 95883066) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
PubChem CID95883066
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESCC(C)Cn1cncc1CNC[C@]1(O)CCNC1
InChIInChI=1S/C13H24N4O/c1-11(2)7-17-10-16-6-12(17)5-15-9-13(18)3-4-14-8-13/h6,10-11,14-15,18H,3-5,7-9H2,1-2H3/t13-/m0/s1
InChIKeyHTSJEAXXEMRYQH-ZDUSSCGKSA-N
XLogP0.35
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106099901
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
CID 50950663
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802
1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
CID 131929830
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154893140
N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 102701714
N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 66129391
2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride
CID 154909830
3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
CID 131916605
N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107165435

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol (CID 95883066) is (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol is CC(C)Cn1cncc1CNC[C@]1(O)CCNC1.
What is the InChIKey of (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is HTSJEAXXEMRYQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)7-17-10-16-6-12(17)5-15-9-13(18)3-4-14-8-13/h6,10-11,14-15,18H,3-5,7-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 252.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 95883066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).