N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine

C13H29N3 — CID 115214466

IUPACN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CC1CCN(CCN)CC1
InChIInChI=1S/C13H29N3/c1-12(2)10-15(3)11-13-4-7-16(8-5-13)9-6-14/h12-13H,4-11,14H2,1-3H3
InChIKeyUHEGPRYYEYRRCS-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.24
Rot. Bonds6

About N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine (PubChem CID 115214466) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine
PubChem CID115214466
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CC1CCN(CCN)CC1
InChIInChI=1S/C13H29N3/c1-12(2)10-15(3)11-13-4-7-16(8-5-13)9-6-14/h12-13H,4-11,14H2,1-3H3
InChIKeyUHEGPRYYEYRRCS-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine
CID 115214528
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide
CID 71304532
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine
CID 166733475
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
N-(cyclobutylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 80544292

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine (CID 115214466) is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)CC1CCN(CCN)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is UHEGPRYYEYRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)10-15(3)11-13-4-7-16(8-5-13)9-6-14/h12-13H,4-11,14H2,1-3H3.
What are the key properties of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine?
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 115214466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).