N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine

C13H27NO — CID 104866870

IUPACN-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)N[C@H](C)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-10-11(2)14-12(3)13-8-6-5-7-9-13/h11-14H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyWQYDTKHYVOBIEA-PIJUOVFKSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine

N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine (PubChem CID 104866870) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
PubChem CID104866870
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)N[C@H](C)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-10-11(2)14-12(3)13-8-6-5-7-9-13/h11-14H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyWQYDTKHYVOBIEA-PIJUOVFKSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-1-methoxypropan-2-amine
CID 81385867
N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
(1-cyclohexyl-2-ethoxyethyl)cyclohexane
CID 54303799
1-cyclopropyl-N-(1-ethoxypropan-2-yl)propan-2-amine
CID 115716929
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine
CID 81385535
N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine
CID 104584284
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine (CID 104866870) is N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine is CCOCC(C)N[C@H](C)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine?
The InChIKey is WQYDTKHYVOBIEA-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-15-10-11(2)14-12(3)13-8-6-5-7-9-13/h11-14H,4-10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine?
N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 104866870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).