N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine

C14H24N4 — CID 62280357

IUPACN-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CCCN(C)CC2)ccn1
InChIInChI=1S/C14H24N4/c1-3-15-12-13-11-14(5-6-16-13)18-8-4-7-17(2)9-10-18/h5-6,11,15H,3-4,7-10,12H2,1-2H3
InChIKeyUABNZTOEHQDMRW-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.33
Rot. Bonds4

About N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine

N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 62280357) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID62280357
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CCCN(C)CC2)ccn1
InChIInChI=1S/C14H24N4/c1-3-15-12-13-11-14(5-6-16-13)18-8-4-7-17(2)9-10-18/h5-6,11,15H,3-4,7-10,12H2,1-2H3
InChIKeyUABNZTOEHQDMRW-UHFFFAOYSA-N
XLogP1.33
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine (CID 62280357) is N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cc(N2CCCN(C)CC2)ccn1.
What is the InChIKey of N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is UABNZTOEHQDMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-15-12-13-11-14(5-6-16-13)18-8-4-7-17(2)9-10-18/h5-6,11,15H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine?
N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62280357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).