1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol

C12H22N2OS — CID 43527489

IUPAC1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(C)Cc1cccs1
InChIInChI=1S/C12H22N2OS/c1-3-6-13-8-11(15)9-14(2)10-12-5-4-7-16-12/h4-5,7,11,13,15H,3,6,8-10H2,1-2H3
InChIKeyFPAZBMSWVUTUCQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.54
Rot. Bonds8

About 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol

1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol (PubChem CID 43527489) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
PubChem CID43527489
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(C)Cc1cccs1
InChIInChI=1S/C12H22N2OS/c1-3-6-13-8-11(15)9-14(2)10-12-5-4-7-16-12/h4-5,7,11,13,15H,3,6,8-10H2,1-2H3
InChIKeyFPAZBMSWVUTUCQ-UHFFFAOYSA-N
XLogP1.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol
CID 61416953
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol (CID 43527489) is 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol is CCCNCC(O)CN(C)Cc1cccs1.
What is the InChIKey of 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol?
The InChIKey is FPAZBMSWVUTUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-6-13-8-11(15)9-14(2)10-12-5-4-7-16-12/h4-5,7,11,13,15H,3,6,8-10H2,1-2H3.
What are the key properties of 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol?
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 43527489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).