N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

C14H22N2OS — CID 62064545

IUPACN'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCC1CCC=CO1)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-16(2)13(14-7-5-9-18-14)11-15-10-12-6-3-4-8-17-12/h4-5,7-9,12-13,15H,3,6,10-11H2,1-2H3
InChIKeyHLOUNYQKSGVMFZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.63
Rot. Bonds6

About N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 62064545) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID62064545
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCC1CCC=CO1)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-16(2)13(14-7-5-9-18-14)11-15-10-12-6-3-4-8-17-12/h4-5,7-9,12-13,15H,3,6,10-11H2,1-2H3
InChIKeyHLOUNYQKSGVMFZ-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine with MolForge

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Related Compounds

N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62384640
1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62066335
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 107095013
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62760162
N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
CID 54902452
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43182619
N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43079511
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 55030830
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 54981658
N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79970542

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 62064545) is N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNCC1CCC=CO1)c1cccs1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is HLOUNYQKSGVMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16(2)13(14-7-5-9-18-14)11-15-10-12-6-3-4-8-17-12/h4-5,7-9,12-13,15H,3,6,10-11H2,1-2H3.
What are the key properties of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 62064545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).