(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

C20H30N4 — CID 124749899

IUPAC(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCc1ccnc(C[C@H](C)N(C)Cc2cncn2C2CCCCC2)c1
InChIInChI=1S/C20H30N4/c1-16-9-10-22-18(11-16)12-17(2)23(3)14-20-13-21-15-24(20)19-7-5-4-6-8-19/h9-11,13,15,17,19H,4-8,12,14H2,1-3H3/t17-/m0/s1
InChIKeyBSCVSOTYFMZNKM-KRWDZBQOSA-N
MW326.49 g/mol
LogP4.15
Rot. Bonds6

About (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (PubChem CID 124749899) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
PubChem CID124749899
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCc1ccnc(C[C@H](C)N(C)Cc2cncn2C2CCCCC2)c1
InChIInChI=1S/C20H30N4/c1-16-9-10-22-18(11-16)12-17(2)23(3)14-20-13-21-15-24(20)19-7-5-4-6-8-19/h9-11,13,15,17,19H,4-8,12,14H2,1-3H3/t17-/m0/s1
InChIKeyBSCVSOTYFMZNKM-KRWDZBQOSA-N
XLogP4.15
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124754653
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 124758227
N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46997844
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine
CID 91841195
(2R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 99943544
5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 97132923
1-(3-cyclohexylimidazol-4-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 91837101
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 95046645
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (CID 124749899) is (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is Cc1ccnc(C[C@H](C)N(C)Cc2cncn2C2CCCCC2)c1.
What is the InChIKey of (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is BSCVSOTYFMZNKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N4/c1-16-9-10-22-18(11-16)12-17(2)23(3)14-20-13-21-15-24(20)19-7-5-4-6-8-19/h9-11,13,15,17,19H,4-8,12,14H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
(2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 326.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-cyclohexylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 124749899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).