N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine

C11H19NO — CID 43223100

IUPACN-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCOCC(C)NC1CC2CC=CC21
InChIInChI=1S/C11H19NO/c1-8(7-13-2)12-11-6-9-4-3-5-10(9)11/h3,5,8-12H,4,6-7H2,1-2H3
InChIKeyNBBCFJJCPRGOAJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds4

About N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine

N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43223100) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43223100
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCOCC(C)NC1CC2CC=CC21
InChIInChI=1S/C11H19NO/c1-8(7-13-2)12-11-6-9-4-3-5-10(9)11/h3,5,8-12H,4,6-7H2,1-2H3
InChIKeyNBBCFJJCPRGOAJ-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43223100) is N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine is COCC(C)NC1CC2CC=CC21.
What is the InChIKey of N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is NBBCFJJCPRGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(7-13-2)12-11-6-9-4-3-5-10(9)11/h3,5,8-12H,4,6-7H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 181.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43223100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).