N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide

C14H23IN4O — CID 111044869

IUPACN-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
SMILESCC(=O)Nc1cccc(C/N=C(\N)NCC(C)C)c1.I
InChIInChI=1S/C14H22N4O.HI/c1-10(2)8-16-14(15)17-9-12-5-4-6-13(7-12)18-11(3)19;/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H3,15,16,17);1H
InChIKeyZAELGMJPKFIABE-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.32
Rot. Bonds5

About N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide

N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide (PubChem CID 111044869) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
PubChem CID111044869
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC NameN-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
SMILESCC(=O)Nc1cccc(C/N=C(\N)NCC(C)C)c1.I
InChIInChI=1S/C14H22N4O.HI/c1-10(2)8-16-14(15)17-9-12-5-4-6-13(7-12)18-11(3)19;/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H3,15,16,17);1H
InChIKeyZAELGMJPKFIABE-UHFFFAOYSA-N
XLogP2.32
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[ethylamino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111178511
2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912118
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111044874
1-(2-methylpropyl)-2-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111059378
2-[(3-cyanophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110911955
2-[[3-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111045598
3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-butan-2-ylbenzamide;hydroiodide
CID 111058531
2-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111093283
N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044877
N-[4-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111040435
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111051054
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The IUPAC name of N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide (CID 111044869) is N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide.
What is the SMILES notation for N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The canonical SMILES for N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide is CC(=O)Nc1cccc(C/N=C(\N)NCC(C)C)c1.I.
What is the InChIKey of N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The InChIKey is ZAELGMJPKFIABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.HI/c1-10(2)8-16-14(15)17-9-12-5-4-6-13(7-12)18-11(3)19;/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H3,15,16,17);1H.
What are the key properties of N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide has a molecular weight of 390.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide is sourced from PubChem (CID 111044869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).