3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol

C14H27NO — CID 115400216

IUPAC3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
SMILESCC(CCO)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C14H27NO/c1-10(6-8-16)15-12-13(2,3)11-5-7-14(12,4)9-11/h10-12,15-16H,5-9H2,1-4H3/t10?,11-,12?,14+/m0/s1
InChIKeySLWXMCISSBYEJH-BOLFBJMRSA-N
MW225.38 g/mol
LogP2.56
Rot. Bonds4

About 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol

3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol (PubChem CID 115400216) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
PubChem CID115400216
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
SMILESCC(CCO)NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C14H27NO/c1-10(6-8-16)15-12-13(2,3)11-5-7-14(12,4)9-11/h10-12,15-16H,5-9H2,1-4H3/t10?,11-,12?,14+/m0/s1
InChIKeySLWXMCISSBYEJH-BOLFBJMRSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol with MolForge

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Related Compounds

(1R,4S)-N-(1-cyclopropylpropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400818
(1R,4S)-N-(1-methoxypropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400260
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
3-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]pentan-1-ol
CID 113302762
4-methoxy-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 114210473
methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 115400720
1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
CID 106023685
2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
CID 115400798
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]pentanenitrile
CID 113302737

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The IUPAC name of 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol (CID 115400216) is 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The canonical SMILES for 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol is CC(CCO)NC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The InChIKey is SLWXMCISSBYEJH-BOLFBJMRSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(6-8-16)15-12-13(2,3)11-5-7-14(12,4)9-11/h10-12,15-16H,5-9H2,1-4H3/t10?,11-,12?,14+/m0/s1.
What are the key properties of 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol is sourced from PubChem (CID 115400216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).