N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine

C13H29N3 — CID 115198906

IUPACN',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
SMILESCC(CN)CN(C)CCC1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-12(10-14)11-16(3)9-6-13-4-7-15(2)8-5-13/h12-13H,4-11,14H2,1-3H3
InChIKeyKZPNJESVMVHUPU-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.24
Rot. Bonds6

About N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine

N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine (PubChem CID 115198906) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
PubChem CID115198906
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
SMILESCC(CN)CN(C)CCC1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-12(10-14)11-16(3)9-6-13-4-7-15(2)8-5-13/h12-13H,4-11,14H2,1-3H3
InChIKeyKZPNJESVMVHUPU-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

N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N-(hydrazinylmethyl)-N-methyl-2-(1-methylpiperidin-4-yl)ethanamine
CID 115261373
N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115272506
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 81079366
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
3-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]butanoic acid
CID 115241889
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 83835390
4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide
CID 81086817
N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine
CID 142067796
N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine
CID 170039726

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine (CID 115198906) is N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine is CC(CN)CN(C)CCC1CCN(C)CC1.
What is the InChIKey of N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The InChIKey is KZPNJESVMVHUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(10-14)11-16(3)9-6-13-4-7-15(2)8-5-13/h12-13H,4-11,14H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine 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',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115198906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).