1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine

C12H25NO — CID 112588878

IUPAC1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine
SMILESCC1(NCCOC(C)(C)C)CCCC1
InChIInChI=1S/C12H25NO/c1-11(2,3)14-10-9-13-12(4)7-5-6-8-12/h13H,5-10H2,1-4H3
InChIKeySISVOJJEYRZLQN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds4

About 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine

1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine (PubChem CID 112588878) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine
PubChem CID112588878
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine
SMILESCC1(NCCOC(C)(C)C)CCCC1
InChIInChI=1S/C12H25NO/c1-11(2,3)14-10-9-13-12(4)7-5-6-8-12/h13H,5-10H2,1-4H3
InChIKeySISVOJJEYRZLQN-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine?
The IUPAC name of 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine (CID 112588878) is 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine is CC1(NCCOC(C)(C)C)CCCC1.
What is the InChIKey of 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine?
The InChIKey is SISVOJJEYRZLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2,3)14-10-9-13-12(4)7-5-6-8-12/h13H,5-10H2,1-4H3.
What are the key properties of 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine?
1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 112588878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).