1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine

C12H23NO — CID 116761878

IUPAC1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)C1(OCC)CCCC1
InChIInChI=1S/C12H23NO/c1-5-14-12(8-6-7-9-12)11(13-4)10(2)3/h11,13H,2,5-9H2,1,3-4H3
InChIKeyNDFYJIREWMWAPV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine

1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 116761878) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID116761878
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)C1(OCC)CCCC1
InChIInChI=1S/C12H23NO/c1-5-14-12(8-6-7-9-12)11(13-4)10(2)3/h11,13H,2,5-9H2,1,3-4H3
InChIKeyNDFYJIREWMWAPV-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(1-ethoxycyclopentyl)-2-methylprop-2-enyl]hydrazine
CID 105275840
[1-(1-ethoxy-4-methylcyclohexyl)-2-methylprop-2-enyl]hydrazine
CID 105277383
1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine
CID 116761985
1-(1-ethoxycyclopentyl)-N,2,2-trimethylpropan-1-amine
CID 116762084
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylprop-2-en-1-amine
CID 116767764
[1-(1-ethoxycyclohexyl)-4-methylpent-4-enyl]hydrazine
CID 105276293
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 116770863
[1-(1-ethylcyclopentyl)-2-methylprop-2-enyl]hydrazine
CID 105320113
1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114476070
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
N,2-dimethyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine
CID 79179936
[1-(1-methoxycycloheptyl)-2-methylprop-2-enyl]hydrazine
CID 105278319

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine (CID 116761878) is 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)C1(OCC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is NDFYJIREWMWAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-14-12(8-6-7-9-12)11(13-4)10(2)3/h11,13H,2,5-9H2,1,3-4H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine?
1-(1-ethoxycyclopentyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 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-dimethylprop-2-en-1-amine is sourced from PubChem (CID 116761878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).