trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine

C11H23NO — CID 94302756

IUPACtrans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine
SMILESCCN[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C11H23NO/c1-4-12-10-7-5-6-8-11(10)13-9(2)3/h9-12H,4-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyWRVDPTUDYRXYNW-GHMZBOCLSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds4

About trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine

trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine (PubChem CID 94302756) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine
PubChem CID94302756
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nametrans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine
SMILESCCN[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C11H23NO/c1-4-12-10-7-5-6-8-11(10)13-9(2)3/h9-12H,4-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyWRVDPTUDYRXYNW-GHMZBOCLSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine
CID 94302774
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
CID 63475627
N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine
CID 114208332
N-ethyl-2-(oxolan-3-yloxy)cyclohexan-1-amine
CID 63559041
2-(2-cyclopropylethoxy)-N-ethylcyclooctan-1-amine
CID 106200627
2-(2-cyclopropylethoxy)-N-ethylcyclododecan-1-amine
CID 106200788
N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
CID 66274569
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
2-(2,6-dimethyloxan-4-yl)oxy-N-ethylcyclohexan-1-amine
CID 113369140

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine (CID 94302756) is trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine is CCN[C@@H]1CCCC[C@H]1OC(C)C.
What is the InChIKey of trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine?
The InChIKey is WRVDPTUDYRXYNW-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-12-10-7-5-6-8-11(10)13-9(2)3/h9-12H,4-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine?
trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 94302756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).