1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine

C16H23N — CID 3787978

IUPAC1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1ccccc1)C2
InChIInChI=1S/C16H23N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3
InChIKeyGQQDHADMSIWBFT-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.31
Rot. Bonds2

About 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine (PubChem CID 3787978) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
PubChem CID3787978
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1ccccc1)C2
InChIInChI=1S/C16H23N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3
InChIKeyGQQDHADMSIWBFT-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine (CID 3787978) is 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(Nc1ccccc1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is GQQDHADMSIWBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-15(2)12-9-10-16(15,3)14(11-12)17-13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 3787978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).