N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine

C15H29NO — CID 79895651

IUPACN-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCCCC(C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H29NO/c1-3-4-5-7-13(2)16-14-8-11-17-15(12-14)9-6-10-15/h13-14,16H,3-12H2,1-2H3
InChIKeyLLCDMKGZCPWGKY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds6

About N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine

N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895651) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895651
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
SMILESCCCCCC(C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H29NO/c1-3-4-5-7-13(2)16-14-8-11-17-15(12-14)9-6-10-15/h13-14,16H,3-12H2,1-2H3
InChIKeyLLCDMKGZCPWGKY-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-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

N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895087
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine (CID 79895651) is N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine is CCCCCC(C)NC1CCOC2(CCC2)C1.
What is the InChIKey of N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is LLCDMKGZCPWGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-5-7-13(2)16-14-8-11-17-15(12-14)9-6-10-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine?
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).