2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine

C18H27N5 — CID 70895333

IUPAC2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine
SMILESCCN(Cc1cc(N(C)C)ccn1)Cc1cc(N(C)C)ccn1
InChIInChI=1S/C18H27N5/c1-6-23(13-15-11-17(21(2)3)7-9-19-15)14-16-12-18(22(4)5)8-10-20-16/h7-12H,6,13-14H2,1-5H3
InChIKeyBWGIQGRKWDTJKM-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.63
Rot. Bonds7

About 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine

2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine (PubChem CID 70895333) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine
PubChem CID70895333
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine
SMILESCCN(Cc1cc(N(C)C)ccn1)Cc1cc(N(C)C)ccn1
InChIInChI=1S/C18H27N5/c1-6-23(13-15-11-17(21(2)3)7-9-19-15)14-16-12-18(22(4)5)8-10-20-16/h7-12H,6,13-14H2,1-5H3
InChIKeyBWGIQGRKWDTJKM-UHFFFAOYSA-N
XLogP2.63
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine (CID 70895333) is 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine is CCN(Cc1cc(N(C)C)ccn1)Cc1cc(N(C)C)ccn1.
What is the InChIKey of 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine?
The InChIKey is BWGIQGRKWDTJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-6-23(13-15-11-17(21(2)3)7-9-19-15)14-16-12-18(22(4)5)8-10-20-16/h7-12H,6,13-14H2,1-5H3.
What are the key properties of 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine?
2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(dimethylamino)-2-pyridinyl]methyl-ethylamino]methyl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 70895333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).