N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine

C12H20N2S — CID 60984620

IUPACN-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)CC2CC2)s1
InChIInChI=1S/C12H20N2S/c1-9-3-6-12(15-9)11(7-13)14(2)8-10-4-5-10/h3,6,10-11H,4-5,7-8,13H2,1-2H3
InChIKeyYEWJHGONTMFRRO-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.40
Rot. Bonds5

About N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine

N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 60984620) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID60984620
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)CC2CC2)s1
InChIInChI=1S/C12H20N2S/c1-9-3-6-12(15-9)11(7-13)14(2)8-10-4-5-10/h3,6,10-11H,4-5,7-8,13H2,1-2H3
InChIKeyYEWJHGONTMFRRO-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725566
1-(5-chlorothiophen-2-yl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 54983977
N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
CID 43294656
N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 43264016
N-(3-methoxypropyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 62984095
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 54883872
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 63232892
N-(cyclobutylmethyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62861633
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54983656
N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
CID 63668937

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine (CID 60984620) is N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)CC2CC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is YEWJHGONTMFRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-3-6-12(15-9)11(7-13)14(2)8-10-4-5-10/h3,6,10-11H,4-5,7-8,13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 224.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 60984620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).