1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine

C13H27NO — CID 79197910

IUPAC1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(CC1CCCC1)C(C)(C)OC
InChIInChI=1S/C13H27NO/c1-5-14-12(13(2,3)15-4)10-11-8-6-7-9-11/h11-12,14H,5-10H2,1-4H3
InChIKeyUJNBEJBIAXJWFB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine

1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine (PubChem CID 79197910) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
PubChem CID79197910
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(CC1CCCC1)C(C)(C)OC
InChIInChI=1S/C13H27NO/c1-5-14-12(13(2,3)15-4)10-11-8-6-7-9-11/h11-12,14H,5-10H2,1-4H3
InChIKeyUJNBEJBIAXJWFB-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

1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79196998
1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198161
1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
CID 79197921
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056065
1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069589
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
1-cyclohexyl-N-ethyl-4-methylpent-3-en-2-amine
CID 105004573
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine (CID 79197910) is 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine is CCNC(CC1CCCC1)C(C)(C)OC.
What is the InChIKey of 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The InChIKey is UJNBEJBIAXJWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-14-12(13(2,3)15-4)10-11-8-6-7-9-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine?
1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-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 1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79197910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).