(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine

C12H23N — CID 62707779

IUPAC(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine
SMILESCC(C)C1CCC2(CC1)CC2CN
InChIInChI=1S/C12H23N/c1-9(2)10-3-5-12(6-4-10)7-11(12)8-13/h9-11H,3-8,13H2,1-2H3
InChIKeyYQBHNIBFYMLJNJ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.80
Rot. Bonds2

About (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine

(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine (PubChem CID 62707779) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine.

Molecular Properties

Compound Name(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine
PubChem CID62707779
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine
SMILESCC(C)C1CCC2(CC1)CC2CN
InChIInChI=1S/C12H23N/c1-9(2)10-3-5-12(6-4-10)7-11(12)8-13/h9-11H,3-8,13H2,1-2H3
InChIKeyYQBHNIBFYMLJNJ-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine?
The IUPAC name of (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine (CID 62707779) is (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine.
What is the SMILES notation for (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine?
The canonical SMILES for (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine is CC(C)C1CCC2(CC1)CC2CN.
What is the InChIKey of (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine?
The InChIKey is YQBHNIBFYMLJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)10-3-5-12(6-4-10)7-11(12)8-13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine?
(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-ylspiro[2.5]octan-2-yl)methanamine is sourced from PubChem (CID 62707779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).