(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine

C13H27NO — CID 81384150

IUPAC(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(2)15-10-9-14-12(3)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyYCXDASWAHDWLQW-LBPRGKRZSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine

(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 81384150) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID81384150
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(2)15-10-9-14-12(3)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyYCXDASWAHDWLQW-LBPRGKRZSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 62407006
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81393303
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179279
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine (CID 81384150) is (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCN[C@@H](C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is YCXDASWAHDWLQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)15-10-9-14-12(3)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine?
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine 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 (1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 81384150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).