N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine

C17H29NO — CID 103922024

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC2(C3CC3)CC2)C12CCCC2
InChIInChI=1S/C17H29NO/c1-2-19-15-11-14(17(15)7-3-4-8-17)18-12-16(9-10-16)13-5-6-13/h13-15,18H,2-12H2,1H3
InChIKeyFOGZMSJAOLPAHX-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.50
Rot. Bonds6

About N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine

N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 103922024) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID103922024
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC2(C3CC3)CC2)C12CCCC2
InChIInChI=1S/C17H29NO/c1-2-19-15-11-14(17(15)7-3-4-8-17)18-12-16(9-10-16)13-5-6-13/h13-15,18H,2-12H2,1H3
InChIKeyFOGZMSJAOLPAHX-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
CID 107269977
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864059
3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
CID 65169715
3-ethoxy-N-(2-methylbutyl)spiro[3.4]octan-1-amine
CID 64865595
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine (CID 103922024) is N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NCC2(C3CC3)CC2)C12CCCC2.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is FOGZMSJAOLPAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-19-15-11-14(17(15)7-3-4-8-17)18-12-16(9-10-16)13-5-6-13/h13-15,18H,2-12H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 103922024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).