N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine

C20H33N — CID 43223185

IUPACN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC1(C)C2CCC1(C)C(NC1CC3CC1C1CCCC31)C2
InChIInChI=1S/C20H33N/c1-19(2)13-7-8-20(19,3)18(11-13)21-17-10-12-9-16(17)15-6-4-5-14(12)15/h12-18,21H,4-11H2,1-3H3
InChIKeyYCGBNBCYUCLTNB-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.62
Rot. Bonds2

About N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43223185) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43223185
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC1(C)C2CCC1(C)C(NC1CC3CC1C1CCCC31)C2
InChIInChI=1S/C20H33N/c1-19(2)13-7-8-20(19,3)18(11-13)21-17-10-12-9-16(17)15-6-4-5-14(12)15/h12-18,21H,4-11H2,1-3H3
InChIKeyYCGBNBCYUCLTNB-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43223185) is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine is CC1(C)C2CCC1(C)C(NC1CC3CC1C1CCCC31)C2.
What is the InChIKey of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is YCGBNBCYUCLTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-19(2)13-7-8-20(19,3)18(11-13)21-17-10-12-9-16(17)15-6-4-5-14(12)15/h12-18,21H,4-11H2,1-3H3.
What are the key properties of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 287.49 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43223185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).