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

C15H29NO — CID 115400209

IUPAC2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
SMILESCCC(C)(O)CNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C15H29NO/c1-6-15(5,17)10-16-12-13(2,3)11-7-8-14(12,4)9-11/h11-12,16-17H,6-10H2,1-5H3/t11-,12?,14+,15?/m0/s1
InChIKeyMDUAFGATMVKBQG-UZTPGZALSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds4

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

2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol (PubChem CID 115400209) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
PubChem CID115400209
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
SMILESCCC(C)(O)CNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C15H29NO/c1-6-15(5,17)10-16-12-13(2,3)11-7-8-14(12,4)9-11/h11-12,16-17H,6-10H2,1-5H3/t11-,12?,14+,15?/m0/s1
InChIKeyMDUAFGATMVKBQG-UZTPGZALSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-methyl-1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
CID 65108207
2-methyl-1-methylsulfanyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 103829315
1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine
CID 114169083
1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine
CID 66047372
N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 115400176
4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
CID 115400849
N-(2-tert-butylsulfonylethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103902212
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
3-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]pentan-1-ol
CID 113302762
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol (CID 115400209) is 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol is CCC(C)(O)CNC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol?
The InChIKey is MDUAFGATMVKBQG-UZTPGZALSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-15(5,17)10-16-12-13(2,3)11-7-8-14(12,4)9-11/h11-12,16-17H,6-10H2,1-5H3/t11-,12?,14+,15?/m0/s1.
What are the key properties of 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol?
2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol is sourced from PubChem (CID 115400209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).