N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine

C17H34N2S — CID 43530793

IUPACN-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine
SMILESCCC(C)(C)C1CCC(CN)C(N(C)C2CCSC2)C1
InChIInChI=1S/C17H34N2S/c1-5-17(2,3)14-7-6-13(11-18)16(10-14)19(4)15-8-9-20-12-15/h13-16H,5-12,18H2,1-4H3
InChIKeyUIZSYGKIRRVVMS-UHFFFAOYSA-N
MW298.54 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine

N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine (PubChem CID 43530793) has the molecular formula C17H34N2S and a molecular weight of 298.54 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine
PubChem CID43530793
Molecular FormulaC17H34N2S
Molecular Weight298.54 g/mol
Exact Mass298.24
IUPAC NameN-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine
SMILESCCC(C)(C)C1CCC(CN)C(N(C)C2CCSC2)C1
InChIInChI=1S/C17H34N2S/c1-5-17(2,3)14-7-6-13(11-18)16(10-14)19(4)15-8-9-20-12-15/h13-16H,5-12,18H2,1-4H3
InChIKeyUIZSYGKIRRVVMS-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine (CID 43530793) is N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine is CCC(C)(C)C1CCC(CN)C(N(C)C2CCSC2)C1.
What is the InChIKey of N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine?
The InChIKey is UIZSYGKIRRVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2S/c1-5-17(2,3)14-7-6-13(11-18)16(10-14)19(4)15-8-9-20-12-15/h13-16H,5-12,18H2,1-4H3.
What are the key properties of N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine?
N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine has a molecular weight of 298.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43530793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).