(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine

C13H24N4 — CID 70763278

IUPAC(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1N(C)C
InChIInChI=1S/C13H24N4/c1-4-5-11-8-17(9-12(11)16(2)3)10-13-14-6-7-15-13/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyLHMQXVRBYHUUGL-VXGBXAGGSA-N
MW236.36 g/mol
LogP1.57
Rot. Bonds5

About (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine

(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine (PubChem CID 70763278) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine
PubChem CID70763278
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1N(C)C
InChIInChI=1S/C13H24N4/c1-4-5-11-8-17(9-12(11)16(2)3)10-13-14-6-7-15-13/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyLHMQXVRBYHUUGL-VXGBXAGGSA-N
XLogP1.57
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 86283433
(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 133119202
5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 70765593
(3aS,6aR)-2-(1H-imidazol-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126527
(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 72912402
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
CID 130604179
(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 70755438
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135113029
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride
CID 115618879
(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50956578

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine (CID 70763278) is (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine is CCC[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1N(C)C.
What is the InChIKey of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The InChIKey is LHMQXVRBYHUUGL-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-5-11-8-17(9-12(11)16(2)3)10-13-14-6-7-15-13/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,14,15)/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine?
(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 70763278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).