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

C14H23IN4O — CID 111044877

IUPACN-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1cccc(NC(C)=O)c1.I
InChIInChI=1S/C14H22N4O.HI/c1-4-18(5-2)14(15)16-10-12-7-6-8-13(9-12)17-11(3)19;/h6-9H,4-5,10H2,1-3H3,(H2,15,16)(H,17,19);1H
InChIKeyNIHSJKKIBWTVEN-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.42
Rot. Bonds5

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

N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide (PubChem CID 111044877) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
PubChem CID111044877
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC NameN-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1cccc(NC(C)=O)c1.I
InChIInChI=1S/C14H22N4O.HI/c1-4-18(5-2)14(15)16-10-12-7-6-8-13(9-12)17-11(3)19;/h6-9H,4-5,10H2,1-3H3,(H2,15,16)(H,17,19);1H
InChIKeyNIHSJKKIBWTVEN-UHFFFAOYSA-N
XLogP2.42
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
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-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111044874
1,1-diethyl-2-[[3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111054014
2-[(3-bromophenyl)methyl]-1,1-diethylguanidine
CID 111044516
N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044869
1,1-diethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111026358
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
1,1-diethyl-2-[(3-phenoxyphenyl)methyl]guanidine
CID 111069350
1-[4-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067251
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
N-[3-[[[ethylamino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111178511
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111051075
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The IUPAC name of N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide (CID 111044877) is N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide.
What is the SMILES notation for N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The canonical SMILES for N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide is CCN(CC)/C(N)=N/Cc1cccc(NC(C)=O)c1.I.
What is the InChIKey of N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
The InChIKey is NIHSJKKIBWTVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.HI/c1-4-18(5-2)14(15)16-10-12-7-6-8-13(9-12)17-11(3)19;/h6-9H,4-5,10H2,1-3H3,(H2,15,16)(H,17,19);1H.
What are the key properties of N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide?
N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide has a molecular weight of 390.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide is sourced from PubChem (CID 111044877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).