1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine

C14H29NO — CID 103035740

IUPAC1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
SMILESCCC1CCC(C(N)CCC(C)(C)OC)C1
InChIInChI=1S/C14H29NO/c1-5-11-6-7-12(10-11)13(15)8-9-14(2,3)16-4/h11-13H,5-10,15H2,1-4H3
InChIKeyOCHKSQZIGVBCAY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds6

About 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine

1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103035740) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103035740
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
SMILESCCC1CCC(C(N)CCC(C)(C)OC)C1
InChIInChI=1S/C14H29NO/c1-5-11-6-7-12(10-11)13(15)8-9-14(2,3)16-4/h11-13H,5-10,15H2,1-4H3
InChIKeyOCHKSQZIGVBCAY-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103035720
1-(3-ethylcyclopentyl)propan-1-amine
CID 65410017
4-methoxy-4-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 103032155
1-(3-ethylcyclopentyl)-2,2-dimethylpropan-1-amine
CID 65411012
1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035736
1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
1-(3-ethylcyclopentyl)hex-5-en-1-amine
CID 65411985
1-(3-ethylcyclopentyl)ethanamine
CID 65411210
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine
CID 103032021
1-(3-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037578
(3,5-dimethylcyclohexyl)-(3-ethylcyclopentyl)methanamine
CID 65411202
(5-amino-5-cyclopropyl-2-methylpentan-2-yl) carbamate
CID 174597226

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine (CID 103035740) is 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine is CCC1CCC(C(N)CCC(C)(C)OC)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is OCHKSQZIGVBCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-11-6-7-12(10-11)13(15)8-9-14(2,3)16-4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine?
1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103035740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).