N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C12H22N2OS — CID 62560212

IUPACN-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOCC(C)NCCN(C)Cc1cccs1
InChIInChI=1S/C12H22N2OS/c1-11(10-15-3)13-6-7-14(2)9-12-5-4-8-16-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3
InChIKeyRGFKJNZRUHSQFR-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.80
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62560212) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62560212
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOCC(C)NCCN(C)Cc1cccs1
InChIInChI=1S/C12H22N2OS/c1-11(10-15-3)13-6-7-14(2)9-12-5-4-8-16-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3
InChIKeyRGFKJNZRUHSQFR-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N-(1-methoxypropan-2-yl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558030
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843433
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55090095
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62560212) is N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is COCC(C)NCCN(C)Cc1cccs1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is RGFKJNZRUHSQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11(10-15-3)13-6-7-14(2)9-12-5-4-8-16-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).