1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine

C14H29NO — CID 105080973

IUPAC1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)C1CCCC1
InChIInChI=1S/C14H29NO/c1-4-9-15-14(10-12(2)11-16-3)13-7-5-6-8-13/h12-15H,4-11H2,1-3H3
InChIKeyOFOMWOSSYHOCLP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds8

About 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine

1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 105080973) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID105080973
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)C1CCCC1
InChIInChI=1S/C14H29NO/c1-4-9-15-14(10-12(2)11-16-3)13-7-5-6-8-13/h12-15H,4-11H2,1-3H3
InChIKeyOFOMWOSSYHOCLP-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
CID 105155901
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine
CID 105155241
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
4-methoxy-N,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 105156016
N-(1-cyclohexyl-2-methoxyethyl)propan-2-amine
CID 83686426
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine (CID 105080973) is 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)COC)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is OFOMWOSSYHOCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-9-15-14(10-12(2)11-16-3)13-7-5-6-8-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine?
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105080973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).