N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine

C16H27NO — CID 43225559

IUPACN-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCCOC1CCCCC1
InChIInChI=1S/C16H27NO/c1-2-7-14(8-3-1)18-11-5-10-17-16-12-13-6-4-9-15(13)16/h4,9,13-17H,1-3,5-8,10-12H2
InChIKeyOTNAOHPFCRCIPU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.28
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43225559) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43225559
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCCOC1CCCCC1
InChIInChI=1S/C16H27NO/c1-2-7-14(8-3-1)18-11-5-10-17-16-12-13-6-4-9-15(13)16/h4,9,13-17H,1-3,5-8,10-12H2
InChIKeyOTNAOHPFCRCIPU-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43225559) is N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is OTNAOHPFCRCIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-7-14(8-3-1)18-11-5-10-17-16-12-13-6-4-9-15(13)16/h4,9,13-17H,1-3,5-8,10-12H2.
What are the key properties of N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 249.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43225559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).