(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine

C12H25NO — CID 107895575

IUPAC(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine
SMILESCCCC(C)OC1(CN)CCC(C)C1
InChIInChI=1S/C12H25NO/c1-4-5-11(3)14-12(9-13)7-6-10(2)8-12/h10-11H,4-9,13H2,1-3H3
InChIKeyXKHFVOQPFFLDRI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds5

About (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine

(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine (PubChem CID 107895575) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine.

Molecular Properties

Compound Name(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine
PubChem CID107895575
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine
SMILESCCCC(C)OC1(CN)CCC(C)C1
InChIInChI=1S/C12H25NO/c1-4-5-11(3)14-12(9-13)7-6-10(2)8-12/h10-11H,4-9,13H2,1-3H3
InChIKeyXKHFVOQPFFLDRI-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine?
The IUPAC name of (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine (CID 107895575) is (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine.
What is the SMILES notation for (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine?
The canonical SMILES for (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine is CCCC(C)OC1(CN)CCC(C)C1.
What is the InChIKey of (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine?
The InChIKey is XKHFVOQPFFLDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-11(3)14-12(9-13)7-6-10(2)8-12/h10-11H,4-9,13H2,1-3H3.
What are the key properties of (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine?
(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-pentan-2-yloxycyclopentyl)methanamine is sourced from PubChem (CID 107895575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).