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

C14H28N2S — CID 43530796

IUPACN-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine
SMILESCCC1CCC(CN)C(N(C)C2CCSC2)C1
InChIInChI=1S/C14H28N2S/c1-3-11-4-5-12(9-15)14(8-11)16(2)13-6-7-17-10-13/h11-14H,3-10,15H2,1-2H3
InChIKeyAJOPPNFSVBQFQN-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.58
Rot. Bonds4

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

N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine (PubChem CID 43530796) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine
PubChem CID43530796
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine
SMILESCCC1CCC(CN)C(N(C)C2CCSC2)C1
InChIInChI=1S/C14H28N2S/c1-3-11-4-5-12(9-15)14(8-11)16(2)13-6-7-17-10-13/h11-14H,3-10,15H2,1-2H3
InChIKeyAJOPPNFSVBQFQN-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.58
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-ethylcyclohexyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine (CID 43530796) is N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine is CCC1CCC(CN)C(N(C)C2CCSC2)C1.
What is the InChIKey of N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine?
The InChIKey is AJOPPNFSVBQFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-11-4-5-12(9-15)14(8-11)16(2)13-6-7-17-10-13/h11-14H,3-10,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine?
N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43530796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).