(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine

C9H16N2OS — CID 104868109

IUPAC(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
SMILESCOc1ccsc1CN[C@H](C)CN
InChIInChI=1S/C9H16N2OS/c1-7(5-10)11-6-9-8(12-2)3-4-13-9/h3-4,7,11H,5-6,10H2,1-2H3/t7-/m1/s1
InChIKeyROLKQRFKCUCMKS-SSDOTTSWSA-N
MW200.31 g/mol
LogP1.19
Rot. Bonds5

About (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine

(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine (PubChem CID 104868109) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
PubChem CID104868109
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
SMILESCOc1ccsc1CN[C@H](C)CN
InChIInChI=1S/C9H16N2OS/c1-7(5-10)11-6-9-8(12-2)3-4-13-9/h3-4,7,11H,5-6,10H2,1-2H3/t7-/m1/s1
InChIKeyROLKQRFKCUCMKS-SSDOTTSWSA-N
XLogP1.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine
CID 115710390
1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 113407643
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
3-(3-methoxythiophen-2-yl)propan-1-amine
CID 170868166
2-[(3-methoxythiophen-2-yl)methylamino]ethanol
CID 115710462
1-methoxy-N-[(3-methoxythiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 115710675
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115711072
3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 106345068
(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387303
5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine
CID 115710643

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine (CID 104868109) is (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine is COc1ccsc1CN[C@H](C)CN.
What is the InChIKey of (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine?
The InChIKey is ROLKQRFKCUCMKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(5-10)11-6-9-8(12-2)3-4-13-9/h3-4,7,11H,5-6,10H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine?
(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine has a molecular weight of 200.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).