N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C11H19N3 — CID 60649512

IUPACN',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(C)CCNCCc1ccncc1
InChIInChI=1S/C11H19N3/c1-14(2)10-9-13-8-5-11-3-6-12-7-4-11/h3-4,6-7,13H,5,8-10H2,1-2H3
InChIKeyQEQNKWIOBJICCS-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.78
Rot. Bonds6

About N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 60649512) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID60649512
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(C)CCNCCc1ccncc1
InChIInChI=1S/C11H19N3/c1-14(2)10-9-13-8-5-11-3-6-12-7-4-11/h3-4,6-7,13H,5,8-10H2,1-2H3
InChIKeyQEQNKWIOBJICCS-UHFFFAOYSA-N
XLogP0.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.78
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

N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 106045836
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine
CID 105416373
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 60649512) is N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine is CN(C)CCNCCc1ccncc1.
What is the InChIKey of N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is QEQNKWIOBJICCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(2)10-9-13-8-5-11-3-6-12-7-4-11/h3-4,6-7,13H,5,8-10H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 60649512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).