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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Related Compounds

3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine
CID 103228879
[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-bromo-3-hydroxypropanoate
CID 166031079
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 70123120
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoroacetate
CID 58225971
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (2S)-2-aminopentanoate
CID 107565787
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-sulfanylpropanoate
CID 107018949
[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylbutanoate
CID 91748871
1-O-methyl 3-O-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminopropanedioate
CID 54348246

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).