1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

C16H29NOS — CID 107004814

IUPAC1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(C1CCOC2(CCSCC2)C1)C1CC1(C)C
InChIInChI=1S/C16H29NOS/c1-15(2)11-13(15)14(17-3)12-4-7-18-16(10-12)5-8-19-9-6-16/h12-14,17H,4-11H2,1-3H3
InChIKeyXEHKKINSPTYKLU-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.31
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 107004814) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
PubChem CID107004814
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(C1CCOC2(CCSCC2)C1)C1CC1(C)C
InChIInChI=1S/C16H29NOS/c1-15(2)11-13(15)14(17-3)12-4-7-18-16(10-12)5-8-19-9-6-16/h12-14,17H,4-11H2,1-3H3
InChIKeyXEHKKINSPTYKLU-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105018040
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 105116903
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017661
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016820
1-(1,4-dithian-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79965869
2-methoxy-N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79911973
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
1-(2,2-dimethylcyclohexyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 107190198

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (CID 107004814) is 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is CNC(C1CCOC2(CCSCC2)C1)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is XEHKKINSPTYKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-15(2)11-13(15)14(17-3)12-4-7-18-16(10-12)5-8-19-9-6-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 283.48 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 107004814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).