N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine

C14H31N3O — CID 62563787

IUPACN'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
SMILESCCN1CCC(N(C)CCCNCCOC)CC1
InChIInChI=1S/C14H31N3O/c1-4-17-11-6-14(7-12-17)16(2)10-5-8-15-9-13-18-3/h14-15H,4-13H2,1-3H3
InChIKeyWXAJHICALUZYAT-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds9

About N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine

N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine (PubChem CID 62563787) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
PubChem CID62563787
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
SMILESCCN1CCC(N(C)CCCNCCOC)CC1
InChIInChI=1S/C14H31N3O/c1-4-17-11-6-14(7-12-17)16(2)10-5-8-15-9-13-18-3/h14-15H,4-13H2,1-3H3
InChIKeyWXAJHICALUZYAT-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
CID 55072081
N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
CID 62554486
3-(4-ethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62562042
1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089801
N-(3-methoxypropyl)-N,1-dimethylpiperidin-4-amine
CID 166948035
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
CID 63027895
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276040
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088812
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanethioamide
CID 55004464
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61490482
N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine
CID 66221902

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine (CID 62563787) is N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine is CCN1CCC(N(C)CCCNCCOC)CC1.
What is the InChIKey of N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is WXAJHICALUZYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-17-11-6-14(7-12-17)16(2)10-5-8-15-9-13-18-3/h14-15H,4-13H2,1-3H3.
What are the key properties of N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62563787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).