N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine

C15H21N3OS — CID 46987450

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCn1ccnc1CN(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C15H21N3OS/c1-17-6-5-16-15(17)11-18(9-13-4-8-20-12-13)10-14-3-2-7-19-14/h4-6,8,12,14H,2-3,7,9-11H2,1H3
InChIKeyKRHVCHFWMFXYMI-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.66
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine

N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46987450) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46987450
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCn1ccnc1CN(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C15H21N3OS/c1-17-6-5-16-15(17)11-18(9-13-4-8-20-12-13)10-14-3-2-7-19-14/h4-6,8,12,14H,2-3,7,9-11H2,1H3
InChIKeyKRHVCHFWMFXYMI-UHFFFAOYSA-N
XLogP2.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-Methylimidazol-2-yl)methyl]-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118739739
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methyl-N-(3-thienylmethyl)propan-1-amine
CID 91841898
N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-(3-thienylmethyl)cyclohexanamine
CID 131925371
N-methyl-1-[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]-N-(3-thienylmethyl)methanamine
CID 45212658
Ethyl 1-(thiophen-3-ylmethyl)imidazole-2-carboximidate
CID 21272620
4-[1-[2-(2-Ethoxyethoxy)ethyl]imidazol-2-yl]-1-(thiophen-3-ylmethyl)piperidine
CID 3713552
N-methyl-N-[[3-[[(2S)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 42529414
N-methyl-N-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 42529416
N-methyl-N-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 42530388
N-methyl-N-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 42530390
N-methyl-1-[2-(methylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]-N-(3-thienylmethyl)methanamine
CID 45215798
(2-methoxyethyl)[(1-methyl-1H-imidazol-2-yl)methyl][(3-methyl-2-thienyl)methyl]amine
CID 46984738

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 46987450) is N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine is Cn1ccnc1CN(Cc1ccsc1)CC1CCCO1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is KRHVCHFWMFXYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-17-6-5-16-15(17)11-18(9-13-4-8-20-12-13)10-14-3-2-7-19-14/h4-6,8,12,14H,2-3,7,9-11H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 291.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-2-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46987450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).