N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine

C15H30N2S — CID 61210978

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
SMILESCC1CCCC(CNC2CCSCC2)(N(C)C)C1
InChIInChI=1S/C15H30N2S/c1-13-5-4-8-15(11-13,17(2)3)12-16-14-6-9-18-10-7-14/h13-14,16H,4-12H2,1-3H3
InChIKeyIAFGHLHMELNXPV-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.98
Rot. Bonds4

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine (PubChem CID 61210978) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
PubChem CID61210978
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
SMILESCC1CCCC(CNC2CCSCC2)(N(C)C)C1
InChIInChI=1S/C15H30N2S/c1-13-5-4-8-15(11-13,17(2)3)12-16-14-6-9-18-10-7-14/h13-14,16H,4-12H2,1-3H3
InChIKeyIAFGHLHMELNXPV-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine (CID 61210978) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine is CC1CCCC(CNC2CCSCC2)(N(C)C)C1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine?
The InChIKey is IAFGHLHMELNXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-13-5-4-8-15(11-13,17(2)3)12-16-14-6-9-18-10-7-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine has a molecular weight of 270.49 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine is sourced from PubChem (CID 61210978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).