N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C14H21NO — CID 115906623

IUPACN-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESCC#CCNC1C2CCOC2C12CCCC2
InChIInChI=1S/C14H21NO/c1-2-3-9-15-12-11-6-10-16-13(11)14(12)7-4-5-8-14/h11-13,15H,4-10H2,1H3
InChIKeyFMEUWSYYMZTMCA-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.95
Rot. Bonds2

About N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 115906623) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound NameN-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID115906623
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESCC#CCNC1C2CCOC2C12CCCC2
InChIInChI=1S/C14H21NO/c1-2-3-9-15-12-11-6-10-16-13(11)14(12)7-4-5-8-14/h11-13,15H,4-10H2,1H3
InChIKeyFMEUWSYYMZTMCA-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-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-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776651
N-propylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115776639
N-(2-methylcyclopropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776729
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 75516213
N-[2-methyl-1-[[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]propan-2-yl]methanesulfonamide
CID 124845844
N'-[(2S)-butan-2-yl]-N'-methyl-N-[(1S,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]ethane-1,2-diamine
CID 97246962
N'-[(2S)-butan-2-yl]-N'-methyl-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]ethane-1,2-diamine
CID 124776737
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 84597101
N,N-dimethyl-1-[2-[[(1R,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]ethyl]piperidin-4-amine
CID 119036206
(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 124856490
(1R,5R,6S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 99840678
(1R,5R,6S)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 99840680

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 115906623) is N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is CC#CCNC1C2CCOC2C12CCCC2.
What is the InChIKey of N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is FMEUWSYYMZTMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-9-15-12-11-6-10-16-13(11)14(12)7-4-5-8-14/h11-13,15H,4-10H2,1H3.
What are the key properties of N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 219.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 115906623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).