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

C13H25NO — CID 114986971

IUPAC(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H25NO/c1-9(8-15)14-11-7-10-5-6-13(11,4)12(10,2)3/h9-11,14-15H,5-8H2,1-4H3/t9-,10?,11?,13?/m1/s1
InChIKeyJUAGDNMRVSRYBP-VHSBIODMSA-N
MW211.35 g/mol
LogP2.17
Rot. Bonds3

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

(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol (PubChem CID 114986971) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol
PubChem CID114986971
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H25NO/c1-9(8-15)14-11-7-10-5-6-13(11,4)12(10,2)3/h9-11,14-15H,5-8H2,1-4H3/t9-,10?,11?,13?/m1/s1
InChIKeyJUAGDNMRVSRYBP-VHSBIODMSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078
(1R)-1,7,7-trimethyl-N-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 103894720
N-heptan-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222947
1,7,7-trimethyl-N-(1-piperidin-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 63450726
N-heptan-4-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683810
methyl (2S)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoate
CID 63021775
1,7,7-trimethyl-N-(1-pyrazol-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 63022799
N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
CID 60664094
1,7,7-trimethyl-N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 43223472
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81368051

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol (CID 114986971) is (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol is C[C@H](CO)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol?
The InChIKey is JUAGDNMRVSRYBP-VHSBIODMSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(8-15)14-11-7-10-5-6-13(11,4)12(10,2)3/h9-11,14-15H,5-8H2,1-4H3/t9-,10?,11?,13?/m1/s1.
What are the key properties of (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol?
(2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-1-ol is sourced from PubChem (CID 114986971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).