1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine

C13H27NO — CID 116762084

IUPAC1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine
SMILESCCOC1(C(NC)C(C)(C)C)CCCC1
InChIInChI=1S/C13H27NO/c1-6-15-13(9-7-8-10-13)11(14-5)12(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyCYSQEXUWGCLHHT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds4

About 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine

1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 116762084) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine
PubChem CID116762084
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine
SMILESCCOC1(C(NC)C(C)(C)C)CCCC1
InChIInChI=1S/C13H27NO/c1-6-15-13(9-7-8-10-13)11(14-5)12(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyCYSQEXUWGCLHHT-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-(1-ethoxycycloheptyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 116771119
1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine
CID 116761985
[1-(1-ethoxy-4,4-dimethylcyclohexyl)-2,2-dimethylpropyl]hydrazine
CID 105277919
1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine
CID 116761878
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
CID 116770663
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 116770863
1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116761963
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116768244

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine (CID 116762084) is 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine is CCOC1(C(NC)C(C)(C)C)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is CYSQEXUWGCLHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-15-13(9-7-8-10-13)11(14-5)12(2,3)4/h11,14H,6-10H2,1-5H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine?
1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 116762084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).