3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine

C12H25NO — CID 79627972

IUPAC3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COCC1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,9-13-3)10-14-8-11-6-4-5-7-11/h11,13H,4-10H2,1-3H3
InChIKeyOLUXGTWHWKVKRT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds6

About 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine

3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine (PubChem CID 79627972) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine
PubChem CID79627972
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COCC1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,9-13-3)10-14-8-11-6-4-5-7-11/h11,13H,4-10H2,1-3H3
InChIKeyOLUXGTWHWKVKRT-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine (CID 79627972) is 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)COCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine?
The InChIKey is OLUXGTWHWKVKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,9-13-3)10-14-8-11-6-4-5-7-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine?
3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79627972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).