N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine

C14H24ClNO — CID 115906347

IUPACN-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESC=C(Cl)CNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C14H24ClNO/c1-3-17-13-9-12(16-10-11(2)15)14(13)7-5-4-6-8-14/h12-13,16H,2-10H2,1H3
InChIKeyMBOABXFJNBOGNX-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.46
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 115906347) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID115906347
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESC=C(Cl)CNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C14H24ClNO/c1-3-17-13-9-12(16-10-11(2)15)14(13)7-5-4-6-8-14/h12-13,16H,2-10H2,1H3
InChIKeyMBOABXFJNBOGNX-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
CID 64864422
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 115356121
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115905391
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
CID 106284498
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 115906347) is N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine is C=C(Cl)CNC1CC(OCC)C12CCCCC2.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is MBOABXFJNBOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-3-17-13-9-12(16-10-11(2)15)14(13)7-5-4-6-8-14/h12-13,16H,2-10H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 257.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 115906347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).