N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine

C14H29NO — CID 66226009

IUPACN-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCCC(C)(C)C)CCCC1
InChIInChI=1S/C14H29NO/c1-5-15-12-14(8-6-7-9-14)16-11-10-13(2,3)4/h15H,5-12H2,1-4H3
InChIKeyYQMJDWBEQYILMY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds6

About N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine

N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine (PubChem CID 66226009) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
PubChem CID66226009
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCCC(C)(C)C)CCCC1
InChIInChI=1S/C14H29NO/c1-5-15-12-14(8-6-7-9-14)16-11-10-13(2,3)4/h15H,5-12H2,1-4H3
InChIKeyYQMJDWBEQYILMY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine (CID 66226009) is N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine is CCNCC1(OCCC(C)(C)C)CCCC1.
What is the InChIKey of N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine?
The InChIKey is YQMJDWBEQYILMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-15-12-14(8-6-7-9-14)16-11-10-13(2,3)4/h15H,5-12H2,1-4H3.
What are the key properties of N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine?
N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 66226009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).