1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

C11H24N2OS — CID 106246114

IUPAC1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1CCCC1CN
InChIInChI=1S/C11H24N2OS/c1-11(14,8-15-2)7-13-10-5-3-4-9(10)6-12/h9-10,13-14H,3-8,12H2,1-2H3
InChIKeySTIKHEIBNATVJC-UHFFFAOYSA-N
MW232.39 g/mol
LogP0.82
Rot. Bonds6

About 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246114) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246114
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1CCCC1CN
InChIInChI=1S/C11H24N2OS/c1-11(14,8-15-2)7-13-10-5-3-4-9(10)6-12/h9-10,13-14H,3-8,12H2,1-2H3
InChIKeySTIKHEIBNATVJC-UHFFFAOYSA-N
XLogP0.82
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-Methylsulfanylpropylamino)methyl]cyclopentan-1-ol
CID 65105842
1-[[(2-Methyl-3-methylsulfanylpropyl)amino]methyl]cyclopentan-1-ol
CID 65211161
1-[[2-(Aminomethyl)cyclopentyl]amino]-2-methylpropan-2-ol
CID 65833949
3-[1-(Ethylamino)ethyl]-5-methylthiolan-3-ol
CID 79949211
1-[(2,2-Dimethylcyclopentyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 84588022
1-(1-Cyclohexylethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 91636397
(2S)-1-[[(1S)-1-cyclohexylethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 99718119
(2S)-1-[[(1R)-1-cyclohexylethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 99718120
(2R)-1-[[(1S)-1-cyclohexylethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 99718121
(2R)-1-[[(1R)-1-cyclohexylethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 99718122
2-Methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol
CID 103578431
2-Methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103784805

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246114) is 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNC1CCCC1CN.
What is the InChIKey of 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is STIKHEIBNATVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-11(14,8-15-2)7-13-10-5-3-4-9(10)6-12/h9-10,13-14H,3-8,12H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 232.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).