3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol

C16H29NO2 — CID 114358342

IUPAC3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol
SMILESCC1(C)C2CCC1(C)C(OC(CO)C(N)C1CC1)C2
InChIInChI=1S/C16H29NO2/c1-15(2)11-6-7-16(15,3)13(8-11)19-12(9-18)14(17)10-4-5-10/h10-14,18H,4-9,17H2,1-3H3
InChIKeyOFGIMDCVDYBJLR-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol

3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol (PubChem CID 114358342) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol
PubChem CID114358342
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol
SMILESCC1(C)C2CCC1(C)C(OC(CO)C(N)C1CC1)C2
InChIInChI=1S/C16H29NO2/c1-15(2)11-6-7-16(15,3)13(8-11)19-12(9-18)14(17)10-4-5-10/h10-14,18H,4-9,17H2,1-3H3
InChIKeyOFGIMDCVDYBJLR-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol (CID 114358342) is 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol is CC1(C)C2CCC1(C)C(OC(CO)C(N)C1CC1)C2.
What is the InChIKey of 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol?
The InChIKey is OFGIMDCVDYBJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2)11-6-7-16(15,3)13(8-11)19-12(9-18)14(17)10-4-5-10/h10-14,18H,4-9,17H2,1-3H3.
What are the key properties of 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol?
3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol has a molecular weight of 267.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol is sourced from PubChem (CID 114358342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).