N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine

C16H29N3O — CID 63698869

IUPACN'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCOCCNCc1ccc(N(C)CCCN(C)C)cc1
InChIInChI=1S/C16H29N3O/c1-18(2)11-5-12-19(3)16-8-6-15(7-9-16)14-17-10-13-20-4/h6-9,17H,5,10-14H2,1-4H3
InChIKeyUZSJXMMUMMRSNG-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.81
Rot. Bonds10

About N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63698869) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63698869
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCOCCNCc1ccc(N(C)CCCN(C)C)cc1
InChIInChI=1S/C16H29N3O/c1-18(2)11-5-12-19(3)16-8-6-15(7-9-16)14-17-10-13-20-4/h6-9,17H,5,10-14H2,1-4H3
InChIKeyUZSJXMMUMMRSNG-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine with MolForge

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Related Compounds

N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
N'-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80636019
N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699734
N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline
CID 63007851
N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562567
4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207022
N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63060220
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63698869) is N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine is COCCNCc1ccc(N(C)CCCN(C)C)cc1.
What is the InChIKey of N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is UZSJXMMUMMRSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-18(2)11-5-12-19(3)16-8-6-15(7-9-16)14-17-10-13-20-4/h6-9,17H,5,10-14H2,1-4H3.
What are the key properties of N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63698869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).