N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine

C10H23FN4O — CID 163399903

IUPACN'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine
SMILESCN(CN)CCCN1CCOC(CNF)C1
InChIInChI=1S/C10H23FN4O/c1-14(9-12)3-2-4-15-5-6-16-10(8-15)7-13-11/h10,13H,2-9,12H2,1H3
InChIKeyPDOQVGDQQRVMHX-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.60
Rot. Bonds7

About N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine

N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine (PubChem CID 163399903) has the molecular formula C10H23FN4O and a molecular weight of 234.32 g/mol. Its IUPAC name is N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine
PubChem CID163399903
Molecular FormulaC10H23FN4O
Molecular Weight234.32 g/mol
Exact Mass234.19
IUPAC NameN'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine
SMILESCN(CN)CCCN1CCOC(CNF)C1
InChIInChI=1S/C10H23FN4O/c1-14(9-12)3-2-4-15-5-6-16-10(8-15)7-13-11/h10,13H,2-9,12H2,1H3
InChIKeyPDOQVGDQQRVMHX-UHFFFAOYSA-N
XLogP-0.60
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine?
The IUPAC name of N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine (CID 163399903) is N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine is CN(CN)CCCN1CCOC(CNF)C1.
What is the InChIKey of N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine?
The InChIKey is PDOQVGDQQRVMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FN4O/c1-14(9-12)3-2-4-15-5-6-16-10(8-15)7-13-11/h10,13H,2-9,12H2,1H3.
What are the key properties of N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine?
N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine has a molecular weight of 234.32 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-[(fluoroamino)methyl]morpholin-4-yl]propyl]-N'-methylmethanediamine is sourced from PubChem (CID 163399903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).