N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine

C12H24N2S — CID 43296795

IUPACN-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(N)CCCCC1)C1CCSC1
InChIInChI=1S/C12H24N2S/c1-14(11-5-8-15-9-11)10-12(13)6-3-2-4-7-12/h11H,2-10,13H2,1H3
InChIKeyDWAAKXXJIKMJSS-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.09
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine

N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine (PubChem CID 43296795) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine
PubChem CID43296795
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(N)CCCCC1)C1CCSC1
InChIInChI=1S/C12H24N2S/c1-14(11-5-8-15-9-11)10-12(13)6-3-2-4-7-12/h11H,2-10,13H2,1H3
InChIKeyDWAAKXXJIKMJSS-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine (CID 43296795) is N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine is CN(CC1(N)CCCCC1)C1CCSC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine?
The InChIKey is DWAAKXXJIKMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-14(11-5-8-15-9-11)10-12(13)6-3-2-4-7-12/h11H,2-10,13H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine?
N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine has a molecular weight of 228.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43296795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).