N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine

C13H27NO — CID 114941003

IUPACN-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(C)C1CCCC1
InChIInChI=1S/C13H27NO/c1-5-15-13(3,4)10-14-11(2)12-8-6-7-9-12/h11-12,14H,5-10H2,1-4H3
InChIKeyKVTHCZCMIWHVOH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine

N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine (PubChem CID 114941003) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine
PubChem CID114941003
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(C)C1CCCC1
InChIInChI=1S/C13H27NO/c1-5-15-13(3,4)10-14-11(2)12-8-6-7-9-12/h11-12,14H,5-10H2,1-4H3
InChIKeyKVTHCZCMIWHVOH-UHFFFAOYSA-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-(1-cyclopropylethyl)-2-ethoxy-2-methylpropan-1-amine
CID 114941463
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
N-(1-cyclopentylethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726039
1-cyclopentyl-N-ethylethanamine
CID 60819244
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
2-cyclopentyl-N-(1-cyclopropylethyl)-2-methylpropan-1-amine
CID 115895845
2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid
CID 122128505
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
CID 94431803
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine (CID 114941003) is N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is KVTHCZCMIWHVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-15-13(3,4)10-14-11(2)12-8-6-7-9-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine?
N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-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-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114941003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).