3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide

C16H30N2O — CID 81079148

IUPAC3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
SMILESCCC(CN)CC(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H30N2O/c1-5-11(10-17)8-13(19)18-14-15(2,3)12-6-7-16(14,4)9-12/h11-12,14H,5-10,17H2,1-4H3,(H,18,19)
InChIKeyAMIPOTRGYPDYLO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.69
Rot. Bonds5

About 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide

3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide (PubChem CID 81079148) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
PubChem CID81079148
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
SMILESCCC(CN)CC(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C16H30N2O/c1-5-11(10-17)8-13(19)18-14-15(2,3)12-6-7-16(14,4)9-12/h11-12,14H,5-10,17H2,1-4H3,(H,18,19)
InChIKeyAMIPOTRGYPDYLO-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide (CID 81079148) is 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide is CCC(CN)CC(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide?
The InChIKey is AMIPOTRGYPDYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-11(10-17)8-13(19)18-14-15(2,3)12-6-7-16(14,4)9-12/h11-12,14H,5-10,17H2,1-4H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide?
3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide has a molecular weight of 266.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide is sourced from PubChem (CID 81079148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).