2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine

C14H27NO — CID 79912868

IUPAC2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
SMILESCCC(C)(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NO/c1-3-13(2,15)12-7-10-16-14(11-12)8-5-4-6-9-14/h12H,3-11,15H2,1-2H3
InChIKeyQLMYOLVDYDPPLS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds2

About 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine

2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine (PubChem CID 79912868) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
PubChem CID79912868
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
SMILESCCC(C)(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NO/c1-3-13(2,15)12-7-10-16-14(11-12)8-5-4-6-9-14/h12H,3-11,15H2,1-2H3
InChIKeyQLMYOLVDYDPPLS-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
CID 114833718
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
CID 114833601
4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923273
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79906009
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
CID 79912770

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine (CID 79912868) is 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine is CCC(C)(N)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine?
The InChIKey is QLMYOLVDYDPPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-13(2,15)12-7-10-16-14(11-12)8-5-4-6-9-14/h12H,3-11,15H2,1-2H3.
What are the key properties of 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine?
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine is sourced from PubChem (CID 79912868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).