N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine

C11H21NO — CID 144886145

IUPACN-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine
SMILESC[C@H]1CCC[C@@H](NC2CCOC2)C1
InChIInChI=1S/C11H21NO/c1-9-3-2-4-10(7-9)12-11-5-6-13-8-11/h9-12H,2-8H2,1H3/t9-,10+,11?/m0/s1
InChIKeyXITTWWAQYUYCPG-MTULOOOASA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds2

About N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine

N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine (PubChem CID 144886145) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine
PubChem CID144886145
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine
SMILESC[C@H]1CCC[C@@H](NC2CCOC2)C1
InChIInChI=1S/C11H21NO/c1-9-3-2-4-10(7-9)12-11-5-6-13-8-11/h9-12H,2-8H2,1H3/t9-,10+,11?/m0/s1
InChIKeyXITTWWAQYUYCPG-MTULOOOASA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine?
The IUPAC name of N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine (CID 144886145) is N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine.
What is the SMILES notation for N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine?
The canonical SMILES for N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine is C[C@H]1CCC[C@@H](NC2CCOC2)C1.
What is the InChIKey of N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine?
The InChIKey is XITTWWAQYUYCPG-MTULOOOASA-N. The full InChI is InChI=1S/C11H21NO/c1-9-3-2-4-10(7-9)12-11-5-6-13-8-11/h9-12H,2-8H2,1H3/t9-,10+,11?/m0/s1.
What are the key properties of N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine?
N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine has a molecular weight of 183.29 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 N-[(1R,3S)-3-methylcyclohexyl]oxolan-3-amine is sourced from PubChem (CID 144886145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).