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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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).