(7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine

C12H23NO — CID 130488649

IUPAC(7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine
SMILESCOC1CCCC2(C1)C(CN)C2(C)C
InChIInChI=1S/C12H23NO/c1-11(2)10(8-13)12(11)6-4-5-9(7-12)14-3/h9-10H,4-8,13H2,1-3H3
InChIKeyLVYFVHLYCXRPAZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds2

About (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine

(7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine (PubChem CID 130488649) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine.

Molecular Properties

Compound Name(7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine
PubChem CID130488649
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine
SMILESCOC1CCCC2(C1)C(CN)C2(C)C
InChIInChI=1S/C12H23NO/c1-11(2)10(8-13)12(11)6-4-5-9(7-12)14-3/h9-10H,4-8,13H2,1-3H3
InChIKeyLVYFVHLYCXRPAZ-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylspiro[2.5]octan-1-yl)methanamine
CID 83679419
(7-methoxyspiro[2.5]octan-2-yl)methanamine
CID 106874327
(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine
CID 130488637
3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane
CID 167100938
3-methoxycyclohexane-1,1-dicarboxylic acid
CID 18968479
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
2-(1-amino-3-methoxycyclohexyl)acetic acid
CID 106874447
1-[(1S,3R)-3-methoxy-1-methylcyclohexyl]piperidin-4-amine
CID 71054744
2-(chloromethyl)-7-methoxyspiro[2.5]octane
CID 106875015
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
methoxycyclopentane;dihydrate
CID 159895201
1,1,3-trimethoxycycloheptane
CID 86078996

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine?
The IUPAC name of (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine (CID 130488649) is (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine.
What is the SMILES notation for (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine?
The canonical SMILES for (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine is COC1CCCC2(C1)C(CN)C2(C)C.
What is the InChIKey of (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine?
The InChIKey is LVYFVHLYCXRPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)10(8-13)12(11)6-4-5-9(7-12)14-3/h9-10H,4-8,13H2,1-3H3.
What are the key properties of (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine?
(7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine is sourced from PubChem (CID 130488649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).