N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine

C15H30N2S — CID 43530795

IUPACN-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine
SMILESCCCC1CCC(CN)C(N(C)C2CCSC2)C1
InChIInChI=1S/C15H30N2S/c1-3-4-12-5-6-13(10-16)15(9-12)17(2)14-7-8-18-11-14/h12-15H,3-11,16H2,1-2H3
InChIKeyOBRSBGBVOXHEAD-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine

N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine (PubChem CID 43530795) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine
PubChem CID43530795
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine
SMILESCCCC1CCC(CN)C(N(C)C2CCSC2)C1
InChIInChI=1S/C15H30N2S/c1-3-4-12-5-6-13(10-16)15(9-12)17(2)14-7-8-18-11-14/h12-15H,3-11,16H2,1-2H3
InChIKeyOBRSBGBVOXHEAD-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-5-phenylcyclohexyl]-N-methylthiolan-3-amine
CID 43530792
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
2-(aminomethyl)-N-cyclohexyl-5-ethyl-N-methylcyclohexan-1-amine
CID 43329364
N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine
CID 43613832
2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
CID 63404191
2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
CID 61424771
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
CID 43530816
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
CID 63404368
(3-propylcyclopentyl)methanamine
CID 83635339
2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile
CID 43611121
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine (CID 43530795) is N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine is CCCC1CCC(CN)C(N(C)C2CCSC2)C1.
What is the InChIKey of N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine?
The InChIKey is OBRSBGBVOXHEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-4-12-5-6-13(10-16)15(9-12)17(2)14-7-8-18-11-14/h12-15H,3-11,16H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine?
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine has a molecular weight of 270.49 g/mol, XLogP of 2.97, 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-propylcyclohexyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43530795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).