N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine

C15H30N2O — CID 116522147

IUPACN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CC1CCC(C)(C)O1
InChIInChI=1S/C15H30N2O/c1-4-16-11-13-7-5-6-10-17(13)12-14-8-9-15(2,3)18-14/h13-14,16H,4-12H2,1-3H3
InChIKeyPFVYOOAOZCANDS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds5

About N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 116522147) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
PubChem CID116522147
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CC1CCC(C)(C)O1
InChIInChI=1S/C15H30N2O/c1-4-16-11-13-7-5-6-10-17(13)12-14-8-9-15(2,3)18-14/h13-14,16H,4-12H2,1-3H3
InChIKeyPFVYOOAOZCANDS-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 116522148
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659
N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 116522178
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
CID 116521813
1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 116522866
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 114496972
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 79230189
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid
CID 116522763
4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine
CID 116525280
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine (CID 116522147) is N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1CC1CCC(C)(C)O1.
What is the InChIKey of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is PFVYOOAOZCANDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-16-11-13-7-5-6-10-17(13)12-14-8-9-15(2,3)18-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine?
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 116522147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).