N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine

C12H21NO — CID 104759344

IUPACN-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)OCCNC1CC2CC=CC21
InChIInChI=1S/C12H21NO/c1-9(2)14-7-6-13-12-8-10-4-3-5-11(10)12/h3,5,9-13H,4,6-8H2,1-2H3
InChIKeyZFHSFBJTPFMXBK-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.97
Rot. Bonds5

About N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 104759344) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID104759344
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)OCCNC1CC2CC=CC21
InChIInChI=1S/C12H21NO/c1-9(2)14-7-6-13-12-8-10-4-3-5-11(10)12/h3,5,9-13H,4,6-8H2,1-2H3
InChIKeyZFHSFBJTPFMXBK-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 63827136
N-[2-(2,2-difluoroethoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 105905727
2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 91546772
(1S,6R)-N-(1-methoxypropan-2-yl)bicyclo[4.1.0]hept-2-en-7-amine
CID 146222822
1-[(Z)-but-2-enyl]-N-[(2S)-1-methoxypropan-2-yl]cyclopentan-1-amine
CID 11138406
(2R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
CID 28612922
(2S)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
CID 28612925
(2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
CID 28612928
(2S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
CID 28612931
[(Cyclohex-3-en-1-yl)methyl](1-methoxypropan-2-yl)amine
CID 43180575
N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222599
N-(oxolan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222660

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 104759344) is N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine is CC(C)OCCNC1CC2CC=CC21.
What is the InChIKey of N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is ZFHSFBJTPFMXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)14-7-6-13-12-8-10-4-3-5-11(10)12/h3,5,9-13H,4,6-8H2,1-2H3.
What are the key properties of N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 195.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 104759344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).