4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

C12H22N2OS — CID 106675725

IUPAC4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCc1cccs1
InChIInChI=1S/C12H22N2OS/c1-12(2,15-3)7-10(8-13)14-9-11-5-4-6-16-11/h4-6,10,14H,7-9,13H2,1-3H3
InChIKeyZSLUPWDNUPJQMW-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.98
Rot. Bonds7

About 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (PubChem CID 106675725) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
PubChem CID106675725
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCc1cccs1
InChIInChI=1S/C12H22N2OS/c1-12(2,15-3)7-10(8-13)14-9-11-5-4-6-16-11/h4-6,10,14H,7-9,13H2,1-3H3
InChIKeyZSLUPWDNUPJQMW-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-4-methyl-2-(thiophen-2-ylmethylamino)pentanoic acid
CID 106675991
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 65381961
4-methoxy-2-N,4-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 106675761
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine
CID 103026513
4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine
CID 106675722
4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
CID 61054800
4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 114867747
2-methyl-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62354417
2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
CID 115641765

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (CID 106675725) is 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is COC(C)(C)CC(CN)NCc1cccs1.
What is the InChIKey of 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is ZSLUPWDNUPJQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(2,15-3)7-10(8-13)14-9-11-5-4-6-16-11/h4-6,10,14H,7-9,13H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 106675725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).