N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine

C13H28N2 — CID 62581148

IUPACN-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(CCC(C)C)C1
InChIInChI=1S/C13H28N2/c1-4-14-10-13-6-5-8-15(11-13)9-7-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyADSFUIOPBRBKFB-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds6

About N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine

N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 62581148) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
PubChem CID62581148
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(CCC(C)C)C1
InChIInChI=1S/C13H28N2/c1-4-14-10-13-6-5-8-15(11-13)9-7-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyADSFUIOPBRBKFB-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
N-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 62581307
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79354793
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]methyl]ethanamine
CID 112589860
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 65160987
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine
CID 77010197
N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
CID 63847588
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine (CID 62581148) is N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(CCC(C)C)C1.
What is the InChIKey of N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is ADSFUIOPBRBKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-14-10-13-6-5-8-15(11-13)9-7-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62581148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).