1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine

C14H31N3 — CID 55174617

IUPAC1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
SMILESCCNCCC(C)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H31N3/c1-5-15-9-6-13(2)17(4)12-14-7-10-16(3)11-8-14/h13-15H,5-12H2,1-4H3
InChIKeyGBPHZGHZPCTZOS-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine

1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine (PubChem CID 55174617) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
PubChem CID55174617
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
SMILESCCNCCC(C)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H31N3/c1-5-15-9-6-13(2)17(4)12-14-7-10-16(3)11-8-14/h13-15H,5-12H2,1-4H3
InChIKeyGBPHZGHZPCTZOS-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83053845
3-N,2-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81018774
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentan-1-ol
CID 64790464
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552
2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 64727327
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanesulfonamide
CID 63274278
2-N,3-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55174036

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine (CID 55174617) is 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine is CCNCCC(C)N(C)CC1CCN(C)CC1.
What is the InChIKey of 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine?
The InChIKey is GBPHZGHZPCTZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-15-9-6-13(2)17(4)12-14-7-10-16(3)11-8-14/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine?
1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 55174617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).