N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

C13H27N3 — CID 103068902

IUPACN-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESC=C(CNCC)CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-5-14-10-12(2)11-16(4)13-6-8-15(3)9-7-13/h13-14H,2,5-11H2,1,3-4H3
InChIKeyQFTAPJHCQYWLPO-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.18
Rot. Bonds6

About N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 103068902) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID103068902
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESC=C(CNCC)CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-5-14-10-12(2)11-16(4)13-6-8-15(3)9-7-13/h13-14H,2,5-11H2,1,3-4H3
InChIKeyQFTAPJHCQYWLPO-UHFFFAOYSA-N
XLogP1.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide
CID 106745621
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
CID 103069465
N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070927
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
N-[2-(dimethylamino)ethyl]-N'-ethyl-N-methyl-2-methylidenepropane-1,3-diamine
CID 103070658
N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070025
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737
N-(2-hydroxyethyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43509628
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070194
N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070074
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 103068902) is N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is C=C(CNCC)CN(C)C1CCN(C)CC1.
What is the InChIKey of N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is QFTAPJHCQYWLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-14-10-12(2)11-16(4)13-6-8-15(3)9-7-13/h13-14H,2,5-11H2,1,3-4H3.
What are the key properties of N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 103068902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).