N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine

C17H29NO — CID 43225560

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine
SMILESC1=CC2CC1CC2CNCCCOC1CCCCC1
InChIInChI=1S/C17H29NO/c1-2-5-17(6-3-1)19-10-4-9-18-13-16-12-14-7-8-15(16)11-14/h7-8,14-18H,1-6,9-13H2
InChIKeyOFROQFXWJICSTR-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.53
Rot. Bonds7

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine (PubChem CID 43225560) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine
PubChem CID43225560
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine
SMILESC1=CC2CC1CC2CNCCCOC1CCCCC1
InChIInChI=1S/C17H29NO/c1-2-5-17(6-3-1)19-10-4-9-18-13-16-12-14-7-8-15(16)11-14/h7-8,14-18H,1-6,9-13H2
InChIKeyOFROQFXWJICSTR-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.53
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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine (CID 43225560) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine is C1=CC2CC1CC2CNCCCOC1CCCCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine?
The InChIKey is OFROQFXWJICSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-5-17(6-3-1)19-10-4-9-18-13-16-12-14-7-8-15(16)11-14/h7-8,14-18H,1-6,9-13H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine is sourced from PubChem (CID 43225560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).