(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine

C9H16N4 — CID 130905710

IUPAC(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
SMILESCc1cn(C)c(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C9H16N4/c1-7-5-12(2)9(11-7)13-4-3-8(10)6-13/h5,8H,3-4,6,10H2,1-2H3/t8-/m1/s1
InChIKeyINTHTFGVTDNRDV-MRVPVSSYSA-N
MW180.25 g/mol
LogP0.27
Rot. Bonds1

About (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine

(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine (PubChem CID 130905710) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
PubChem CID130905710
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
SMILESCc1cn(C)c(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C9H16N4/c1-7-5-12(2)9(11-7)13-4-3-8(10)6-13/h5,8H,3-4,6,10H2,1-2H3/t8-/m1/s1
InChIKeyINTHTFGVTDNRDV-MRVPVSSYSA-N
XLogP0.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 67001485
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
4-methyl-1-(4-methyl-1-propylimidazol-2-yl)piperidin-3-amine
CID 106552803
ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777
ethanamine;1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine
CID 144636552
1-(2,5-dimethyl-4-pyridinyl)pyrrolidin-3-amine
CID 83829915
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68804646
[1-(4-methyl-1-propylimidazol-2-yl)piperidin-4-yl]methanamine
CID 106552287

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine (CID 130905710) is (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine is Cc1cn(C)c(N2CC[C@@H](N)C2)n1.
What is the InChIKey of (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine?
The InChIKey is INTHTFGVTDNRDV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-5-12(2)9(11-7)13-4-3-8(10)6-13/h5,8H,3-4,6,10H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine?
(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 130905710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).