5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine

C15H24F2N4 — CID 115993891

IUPAC5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESNCCCCCN1CCCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C15H24F2N4/c16-13-11-14(17)15(19-12-13)21-8-4-7-20(9-10-21)6-3-1-2-5-18/h11-12H,1-10,18H2
InChIKeyWTAWQFWFGMCLSP-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.00
Rot. Bonds6

About 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine

5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 115993891) has the molecular formula C15H24F2N4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID115993891
Molecular FormulaC15H24F2N4
Molecular Weight298.38 g/mol
Exact Mass298.20
IUPAC Name5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESNCCCCCN1CCCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C15H24F2N4/c16-13-11-14(17)15(19-12-13)21-8-4-7-20(9-10-21)6-3-1-2-5-18/h11-12H,1-10,18H2
InChIKeyWTAWQFWFGMCLSP-UHFFFAOYSA-N
XLogP2.00
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine (CID 115993891) is 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine is NCCCCCN1CCCN(c2ncc(F)cc2F)CC1.
What is the InChIKey of 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is WTAWQFWFGMCLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4/c16-13-11-14(17)15(19-12-13)21-8-4-7-20(9-10-21)6-3-1-2-5-18/h11-12H,1-10,18H2.
What are the key properties of 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 298.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 115993891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).