3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

C14H29NO — CID 79627805

IUPAC3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)COCC1CCCC1
InChIInChI=1S/C14H29NO/c1-12(2)15-10-14(3,4)11-16-9-13-7-5-6-8-13/h12-13,15H,5-11H2,1-4H3
InChIKeyPECRWEPXXSACDG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine

3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 79627805) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID79627805
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)COCC1CCCC1
InChIInChI=1S/C14H29NO/c1-12(2)15-10-14(3,4)11-16-9-13-7-5-6-8-13/h12-13,15H,5-11H2,1-4H3
InChIKeyPECRWEPXXSACDG-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine
CID 79627972
3-(cyclopropylmethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79628569
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79619564
2,2-dimethyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 79621622
N-[2-(cyclobutylmethoxy)ethyl]propan-2-amine
CID 65458090
2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 106930773
2-(cyclopentylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074903
2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83159223
3-cyclohexyl-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159871
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 79627805) is 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)(C)COCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is PECRWEPXXSACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)15-10-14(3,4)11-16-9-13-7-5-6-8-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79627805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).