2-cyclopentyl-5-methoxy-5-methylhexan-1-amine

C13H27NO — CID 103036982

IUPAC2-cyclopentyl-5-methoxy-5-methylhexan-1-amine
SMILESCOC(C)(C)CCC(CN)C1CCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)9-8-12(10-14)11-6-4-5-7-11/h11-12H,4-10,14H2,1-3H3
InChIKeyHSNPWVLOZHUUQS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds6

About 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine

2-cyclopentyl-5-methoxy-5-methylhexan-1-amine (PubChem CID 103036982) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-methoxy-5-methylhexan-1-amine
PubChem CID103036982
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-cyclopentyl-5-methoxy-5-methylhexan-1-amine
SMILESCOC(C)(C)CCC(CN)C1CCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)9-8-12(10-14)11-6-4-5-7-11/h11-12H,4-10,14H2,1-3H3
InChIKeyHSNPWVLOZHUUQS-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine?
The IUPAC name of 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine (CID 103036982) is 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine.
What is the SMILES notation for 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine?
The canonical SMILES for 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine is COC(C)(C)CCC(CN)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine?
The InChIKey is HSNPWVLOZHUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,15-3)9-8-12(10-14)11-6-4-5-7-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine?
2-cyclopentyl-5-methoxy-5-methylhexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methoxy-5-methylhexan-1-amine is sourced from PubChem (CID 103036982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).