1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine

C14H24N4 — CID 114087020

IUPAC1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine
SMILESCC(N)c1cccnc1N1CCCN(C)CC1C
InChIInChI=1S/C14H24N4/c1-11-10-17(3)8-5-9-18(11)14-13(12(2)15)6-4-7-16-14/h4,6-7,11-12H,5,8-10,15H2,1-3H3
InChIKeyFUKXRZPIJNGNHH-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.63
Rot. Bonds2

About 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine

1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine (PubChem CID 114087020) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine
PubChem CID114087020
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine
SMILESCC(N)c1cccnc1N1CCCN(C)CC1C
InChIInChI=1S/C14H24N4/c1-11-10-17(3)8-5-9-18(11)14-13(12(2)15)6-4-7-16-14/h4,6-7,11-12H,5,8-10,15H2,1-3H3
InChIKeyFUKXRZPIJNGNHH-UHFFFAOYSA-N
XLogP1.63
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine (CID 114087020) is 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine is CC(N)c1cccnc1N1CCCN(C)CC1C.
What is the InChIKey of 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is FUKXRZPIJNGNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-10-17(3)8-5-9-18(11)14-13(12(2)15)6-4-7-16-14/h4,6-7,11-12H,5,8-10,15H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine?
1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114087020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).