1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine

C10H22N2S — CID 112658627

IUPAC1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)C1CC1
InChIInChI=1S/C10H22N2S/c1-8(7-13-3)12(2)10(6-11)9-4-5-9/h8-10H,4-7,11H2,1-3H3
InChIKeyPKTLMGKGFMNOER-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.41
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine (PubChem CID 112658627) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
PubChem CID112658627
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)C1CC1
InChIInChI=1S/C10H22N2S/c1-8(7-13-3)12(2)10(6-11)9-4-5-9/h8-10H,4-7,11H2,1-3H3
InChIKeyPKTLMGKGFMNOER-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658601
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
CID 116651334
1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine
CID 116651397
1-cyclopropyl-N,N-diethylethane-1,2-diamine
CID 43654980
2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide
CID 116653046
1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
CID 116651335
(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
CID 106933660
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
CID 116652512
(1S)-1-cyclopropyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 166781329
3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol
CID 112663299

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine (CID 112658627) is 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine is CSCC(C)N(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is PKTLMGKGFMNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-8(7-13-3)12(2)10(6-11)9-4-5-9/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112658627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).