1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine

C14H28N4 — CID 70512373

IUPAC1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)C(CCC(C)N)N1CC=CC=C1N
InChIInChI=1S/C14H28N4/c1-4-17(5-2)14(10-9-12(3)15)18-11-7-6-8-13(18)16/h6-8,12,14H,4-5,9-11,15-16H2,1-3H3
InChIKeyFJGSOQVILWYJKV-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.45
Rot. Bonds7

About 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine

1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 70512373) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID70512373
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)C(CCC(C)N)N1CC=CC=C1N
InChIInChI=1S/C14H28N4/c1-4-17(5-2)14(10-9-12(3)15)18-11-7-6-8-13(18)16/h6-8,12,14H,4-5,9-11,15-16H2,1-3H3
InChIKeyFJGSOQVILWYJKV-UHFFFAOYSA-N
XLogP1.45
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 70512373) is 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)C(CCC(C)N)N1CC=CC=C1N.
What is the InChIKey of 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is FJGSOQVILWYJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-17(5-2)14(10-9-12(3)15)18-11-7-6-8-13(18)16/h6-8,12,14H,4-5,9-11,15-16H2,1-3H3.
What are the key properties of 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2H-pyridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 70512373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).