N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C13H21NO — CID 114465643

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC=C(C)COCCNC1CC2CC=CC21
InChIInChI=1S/C13H21NO/c1-10(2)9-15-7-6-14-13-8-11-4-3-5-12(11)13/h3,5,11-14H,1,4,6-9H2,2H3
InChIKeyPKZIQMHHNGVSAU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 114465643) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID114465643
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC=C(C)COCCNC1CC2CC=CC21
InChIInChI=1S/C13H21NO/c1-10(2)9-15-7-6-14-13-8-11-4-3-5-12(11)13/h3,5,11-14H,1,4,6-9H2,2H3
InChIKeyPKZIQMHHNGVSAU-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.13
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
N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222599
N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222682
N-(3-methoxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222689
N-(3-ethoxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223014
N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223100
N-(3-propan-2-yloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223206
N-[3-(2-methylpropoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43225976
N-(2-ethoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43778401
N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43779483

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 114465643) is N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is C=C(C)COCCNC1CC2CC=CC21.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is PKZIQMHHNGVSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)9-15-7-6-14-13-8-11-4-3-5-12(11)13/h3,5,11-14H,1,4,6-9H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 207.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 114465643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).