(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine

C12H21NO — CID 130778573

IUPAC(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine
SMILESC1COC[C@@H](NC2CC3CCC2C3)C1
InChIInChI=1S/C12H21NO/c1-2-11(8-14-5-1)13-12-7-9-3-4-10(12)6-9/h9-13H,1-8H2/t9?,10?,11-,12?/m0/s1
InChIKeyUTKOQRFARUAHHU-FYJQFVIDSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds2

About (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine

(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine (PubChem CID 130778573) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine
PubChem CID130778573
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine
SMILESC1COC[C@@H](NC2CC3CCC2C3)C1
InChIInChI=1S/C12H21NO/c1-2-11(8-14-5-1)13-12-7-9-3-4-10(12)6-9/h9-13H,1-8H2/t9?,10?,11-,12?/m0/s1
InChIKeyUTKOQRFARUAHHU-FYJQFVIDSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyloxan-3-amine
CID 63359772
N-(3-cyclopropylcyclohexyl)oxan-3-amine
CID 64623380
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]oxan-3-amine
CID 115714189
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
CID 98119463
N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine
CID 131181570
N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 104584533
N-fluorobicyclo[2.2.1]heptan-2-amine
CID 123516667
(3R)-N-methyloxan-3-amine
CID 58327948
3-(oxan-3-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069408
(3R)-N-cyclohexyloxolan-3-amine;hydrochloride
CID 166178208

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine?
The IUPAC name of (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine (CID 130778573) is (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine.
What is the SMILES notation for (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine?
The canonical SMILES for (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine is C1COC[C@@H](NC2CC3CCC2C3)C1.
What is the InChIKey of (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine?
The InChIKey is UTKOQRFARUAHHU-FYJQFVIDSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-11(8-14-5-1)13-12-7-9-3-4-10(12)6-9/h9-13H,1-8H2/t9?,10?,11-,12?/m0/s1.
What are the key properties of (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine?
(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine is sourced from PubChem (CID 130778573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).