(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

C15H27NO — CID 114118896

IUPAC(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOC1CC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)C1
InChIInChI=1S/C15H27NO/c1-14(2)10-5-6-15(3,9-10)13(14)16-11-7-12(8-11)17-4/h10-13,16H,5-9H2,1-4H3/t10-,11?,12?,13?,15+/m0/s1
InChIKeySGFRZCWFBQYXHO-CEJAEVFISA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds3

About (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 114118896) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID114118896
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOC1CC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)C1
InChIInChI=1S/C15H27NO/c1-14(2)10-5-6-15(3,9-10)13(14)16-11-7-12(8-11)17-4/h10-13,16H,5-9H2,1-4H3/t10-,11?,12?,13?,15+/m0/s1
InChIKeySGFRZCWFBQYXHO-CEJAEVFISA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
CID 113302646
(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
1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine
CID 113302649
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 64851744
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
(1R,4S)-N-(1-methoxypropan-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400260
N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364631
methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 115400720
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol
CID 103829321
1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine
CID 79537148

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (CID 114118896) is (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is COC1CC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)C1.
What is the InChIKey of (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is SGFRZCWFBQYXHO-CEJAEVFISA-N. The full InChI is InChI=1S/C15H27NO/c1-14(2)10-5-6-15(3,9-10)13(14)16-11-7-12(8-11)17-4/h10-13,16H,5-9H2,1-4H3/t10-,11?,12?,13?,15+/m0/s1.
What are the key properties of (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114118896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).