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

C14H27NO — CID 103894846

IUPAC2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
SMILESCC(C)(O)CNC1CC2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C14H27NO/c1-12(2,16)9-15-11-8-10-6-7-14(11,5)13(10,3)4/h10-11,15-16H,6-9H2,1-5H3/t10?,11?,14-/m1/s1
InChIKeySBLFWDZYWQKEJP-QIMFLAQGSA-N
MW225.38 g/mol
LogP2.56
Rot. Bonds3

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

2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol (PubChem CID 103894846) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
PubChem CID103894846
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
SMILESCC(C)(O)CNC1CC2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C14H27NO/c1-12(2,16)9-15-11-8-10-6-7-14(11,5)13(10,3)4/h10-11,15-16H,6-9H2,1-5H3/t10?,11?,14-/m1/s1
InChIKeySBLFWDZYWQKEJP-QIMFLAQGSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol with MolForge

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Related Compounds

N-(2,2-dimethylbutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103460678
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
(1S,2R,4R)-1,7,7-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 98119738
(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103905893
N-methyl-2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 103951928
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 106008535
ethyl 3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 98076218
[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
CID 81412425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol (CID 103894846) is 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol is CC(C)(O)CNC1CC2CC[C@@]1(C)C2(C)C.
What is the InChIKey of 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol?
The InChIKey is SBLFWDZYWQKEJP-QIMFLAQGSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2,16)9-15-11-8-10-6-7-14(11,5)13(10,3)4/h10-11,15-16H,6-9H2,1-5H3/t10?,11?,14-/m1/s1.
What are the key properties of 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol?
2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol is sourced from PubChem (CID 103894846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).