2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine

C13H25N — CID 89256448

IUPAC2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine
SMILESCCC(CN)C1CC(C)C12CC(C)C2
InChIInChI=1S/C13H25N/c1-4-11(8-14)12-5-10(3)13(12)6-9(2)7-13/h9-12H,4-8,14H2,1-3H3
InChIKeySZFCEZJBDMCWRP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.04
Rot. Bonds3

About 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine

2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine (PubChem CID 89256448) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine
PubChem CID89256448
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine
SMILESCCC(CN)C1CC(C)C12CC(C)C2
InChIInChI=1S/C13H25N/c1-4-11(8-14)12-5-10(3)13(12)6-9(2)7-13/h9-12H,4-8,14H2,1-3H3
InChIKeySZFCEZJBDMCWRP-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine?
The IUPAC name of 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine (CID 89256448) is 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine.
What is the SMILES notation for 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine?
The canonical SMILES for 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine is CCC(CN)C1CC(C)C12CC(C)C2.
What is the InChIKey of 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine?
The InChIKey is SZFCEZJBDMCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-11(8-14)12-5-10(3)13(12)6-9(2)7-13/h9-12H,4-8,14H2,1-3H3.
What are the key properties of 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine?
2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylspiro[3.3]heptan-3-yl)butan-1-amine is sourced from PubChem (CID 89256448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).