N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide

C14H24N4O4 — CID 54395993

IUPACN-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide
SMILESC/N=C(\C[N+](=O)[O-])NCCCOCc1ccc(CN(C)C)o1
InChIInChI=1S/C14H24N4O4/c1-15-14(10-18(19)20)16-7-4-8-21-11-13-6-5-12(22-13)9-17(2)3/h5-6H,4,7-11H2,1-3H3,(H,15,16)
InChIKeyVJZITSSUOVPKEC-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.14
Rot. Bonds10

About N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide

N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide (PubChem CID 54395993) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide.

Molecular Properties

Compound NameN-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide
PubChem CID54395993
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC NameN-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide
SMILESC/N=C(\C[N+](=O)[O-])NCCCOCc1ccc(CN(C)C)o1
InChIInChI=1S/C14H24N4O4/c1-15-14(10-18(19)20)16-7-4-8-21-11-13-6-5-12(22-13)9-17(2)3/h5-6H,4,7-11H2,1-3H3,(H,15,16)
InChIKeyVJZITSSUOVPKEC-UHFFFAOYSA-N
XLogP1.14
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[5-[(dimethylamino)methyl]furan-2-yl]pentyl]-N'-methyl-2-nitroethanimidamide
CID 54107957
1-N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-1-N'-[3-[3-[(dimethylamino)methyl]phenoxy]propyl]-2-nitroethene-1,1-diamine
CID 70575271
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N'-[12-[[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethylidene]amino]dodecyl]-2-nitroethanimidamide
CID 54417467
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-2-nitroethanimidamide
CID 54464719
1-N'-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]-1-N-methyl-2-nitroethene-1,1-diamine
CID 70573052
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398525
[5-[(dimethylamino)methyl]furan-2-yl]methyl 3-oxobutanoate
CID 14839076
N-[2-[[2-[(dimethylamino)methyl]-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethanimidamide
CID 54284358
5-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908702
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-1,2-dimethylguanidine;hydroiodide
CID 111307325
N'-[3-[3-[(dimethylamino)methyl]phenoxy]propyl]-2-nitro-N-(2-phenylethyl)ethanimidamide
CID 54121033

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide?
The IUPAC name of N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide (CID 54395993) is N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide.
What is the SMILES notation for N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide?
The canonical SMILES for N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide is C/N=C(\C[N+](=O)[O-])NCCCOCc1ccc(CN(C)C)o1.
What is the InChIKey of N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide?
The InChIKey is VJZITSSUOVPKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-15-14(10-18(19)20)16-7-4-8-21-11-13-6-5-12(22-13)9-17(2)3/h5-6H,4,7-11H2,1-3H3,(H,15,16).
What are the key properties of N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide?
N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide has a molecular weight of 312.37 g/mol, XLogP of 1.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methoxy]propyl]-N'-methyl-2-nitroethanimidamide is sourced from PubChem (CID 54395993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).