1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

C17H30N4 — CID 124554059

IUPAC1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNC[C@H]1CCCN1CC1CCCCC1
InChIInChI=1S/C17H30N4/c1-20-14-19-12-17(20)11-18-10-16-8-5-9-21(16)13-15-6-3-2-4-7-15/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1
InChIKeyAYGBJTKJTBRPPA-MRXNPFEDSA-N
MW290.45 g/mol
LogP2.55
Rot. Bonds6

About 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 124554059) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID124554059
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNC[C@H]1CCCN1CC1CCCCC1
InChIInChI=1S/C17H30N4/c1-20-14-19-12-17(20)11-18-10-16-8-5-9-21(16)13-15-6-3-2-4-7-15/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1
InChIKeyAYGBJTKJTBRPPA-MRXNPFEDSA-N
XLogP2.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

3-cyclohexyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 21983608
2-(2-Cyclohexyl-1-methylimidazol-4-yl)ethanamine
CID 44292153
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
rac-((2R,3S)-1-cyclopropyl-2-(1-methyl-1H-imidazol-5-yl)piperidin-3-yl)methanamine
CID 122152459
rac-(3R,4S)-1-methyl-4-(1-methyl-1H-imidazol-5-yl)pyrrolidin-3-amine
CID 137949891
5-Methyl-1-propyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820587
5-Methyl-1-(propan-2-YL)-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820589
3-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820590
3-[(1-isopropyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820592
1-(cyclopropylmethyl)-5-methyl-2-(tetrahydro-1H-pyrrol-3-ylmethyl)-1H-imidazole
CID 90488067
1-Cyclopropyl-5-methyl-2-[(pyrrolidin-3-YL)methyl]-1H-imidazole
CID 90488069
5-Methyl-1-(propan-2-YL)-2-[(pyrrolidin-3-YL)methyl]-1H-imidazole
CID 90488072

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 124554059) is 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is Cn1cncc1CNC[C@H]1CCCN1CC1CCCCC1.
What is the InChIKey of 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is AYGBJTKJTBRPPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H30N4/c1-20-14-19-12-17(20)11-18-10-16-8-5-9-21(16)13-15-6-3-2-4-7-15/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 290.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 124554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).