(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine

C11H21NO — CID 165495975

IUPAC(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine
SMILESCCCOC1(CN)CC2CCC1C2
InChIInChI=1S/C11H21NO/c1-2-5-13-11(8-12)7-9-3-4-10(11)6-9/h9-10H,2-8,12H2,1H3
InChIKeyQPAZJDOUKQVQFG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds4

About (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine

(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine (PubChem CID 165495975) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine.

Molecular Properties

Compound Name(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine
PubChem CID165495975
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine
SMILESCCCOC1(CN)CC2CCC1C2
InChIInChI=1S/C11H21NO/c1-2-5-13-11(8-12)7-9-3-4-10(11)6-9/h9-10H,2-8,12H2,1H3
InChIKeyQPAZJDOUKQVQFG-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine?
The IUPAC name of (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine (CID 165495975) is (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine.
What is the SMILES notation for (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine?
The canonical SMILES for (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine is CCCOC1(CN)CC2CCC1C2.
What is the InChIKey of (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine?
The InChIKey is QPAZJDOUKQVQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-5-13-11(8-12)7-9-3-4-10(11)6-9/h9-10H,2-8,12H2,1H3.
What are the key properties of (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine?
(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine is sourced from PubChem (CID 165495975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).