(3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine

C14H26N4 — CID 70777966

IUPAC(3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine
SMILESCCC[C@@H]1CN(Cc2nc[nH]c2C)C[C@H]1N(C)C
InChIInChI=1S/C14H26N4/c1-5-6-12-7-18(9-14(12)17(3)4)8-13-11(2)15-10-16-13/h10,12,14H,5-9H2,1-4H3,(H,15,16)/t12-,14-/m1/s1
InChIKeyGVNYHODVNDPMCV-TZMCWYRMSA-N
MW250.39 g/mol
LogP1.88
Rot. Bonds5

About (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine

(3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine (PubChem CID 70777966) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine
PubChem CID70777966
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine
SMILESCCC[C@@H]1CN(Cc2nc[nH]c2C)C[C@H]1N(C)C
InChIInChI=1S/C14H26N4/c1-5-6-12-7-18(9-14(12)17(3)4)8-13-11(2)15-10-16-13/h10,12,14H,5-9H2,1-4H3,(H,15,16)/t12-,14-/m1/s1
InChIKeyGVNYHODVNDPMCV-TZMCWYRMSA-N
XLogP1.88
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine with MolForge

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Related Compounds

1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
1-[(4-methyl-1H-imidazol-5-yl)methyl]azocane
CID 6456284
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
CID 42776872
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95222401
N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 55114403
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 55114498
N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62742286
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62742287
5,5,5-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine
CID 115516953
9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45175930
N-ethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 50956167

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine (CID 70777966) is (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine is CCC[C@@H]1CN(Cc2nc[nH]c2C)C[C@H]1N(C)C.
What is the InChIKey of (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine?
The InChIKey is GVNYHODVNDPMCV-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-6-12-7-18(9-14(12)17(3)4)8-13-11(2)15-10-16-13/h10,12,14H,5-9H2,1-4H3,(H,15,16)/t12-,14-/m1/s1.
What are the key properties of (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine?
(3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,N-dimethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 70777966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).