N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine

C13H26N2S — CID 62615918

IUPACN-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine
SMILESCC1CCC(N)C(CN(C)C2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-10-3-4-13(14)11(7-10)8-15(2)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3
InChIKeyKPBNERHUFAVJQK-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.19
Rot. Bonds3

About N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine

N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine (PubChem CID 62615918) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine
PubChem CID62615918
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine
SMILESCC1CCC(N)C(CN(C)C2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-10-3-4-13(14)11(7-10)8-15(2)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3
InChIKeyKPBNERHUFAVJQK-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
CID 62616093
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
CID 82744259
3,5-dimethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one
CID 64734817
N-methyl-N-prop-2-ynylthiolan-3-amine
CID 61343229
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine
CID 79865895
4-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664797
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-amine
CID 62611523
N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62561683
4-tert-butyl-2-[[cyclopentyl(methyl)amino]methyl]cyclohexan-1-amine
CID 55094183
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813
N-methyl-N-(piperidin-2-ylmethyl)thiolan-3-amine
CID 43296815
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
CID 63483790

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine (CID 62615918) is N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine is CC1CCC(N)C(CN(C)C2CCSC2)C1.
What is the InChIKey of N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine?
The InChIKey is KPBNERHUFAVJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10-3-4-13(14)11(7-10)8-15(2)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3.
What are the key properties of N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine?
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 62615918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).