N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine

C14H26N4 — CID 113457103

IUPACN-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)c1ccc(C)nc1
InChIInChI=1S/C14H26N4/c1-4-18(5-2)9-8-16-14(10-15)13-7-6-12(3)17-11-13/h6-7,11,14,16H,4-5,8-10,15H2,1-3H3
InChIKeyREEHSVDGERDAOZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.32
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine

N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 113457103) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID113457103
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)c1ccc(C)nc1
InChIInChI=1S/C14H26N4/c1-4-18(5-2)9-8-16-14(10-15)13-7-6-12(3)17-11-13/h6-7,11,14,16H,4-5,8-10,15H2,1-3H3
InChIKeyREEHSVDGERDAOZ-UHFFFAOYSA-N
XLogP1.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine (CID 113457103) is N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine is CCN(CC)CCNC(CN)c1ccc(C)nc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is REEHSVDGERDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-18(5-2)9-8-16-14(10-15)13-7-6-12(3)17-11-13/h6-7,11,14,16H,4-5,8-10,15H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine?
N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 113457103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).