N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide

C12H20ClN5 — CID 143906363

IUPACN'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide
SMILESCN(C)CCC(c1cccc(Cl)c1)N(N)/N=C\N
InChIInChI=1S/C12H20ClN5/c1-17(2)7-6-12(18(15)16-9-14)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7,15H2,1-2H3,(H2,14,16)
InChIKeyLQGLCDQIHRKEBC-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.41
Rot. Bonds6

About N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide

N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide (PubChem CID 143906363) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide.

Molecular Properties

Compound NameN'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide
PubChem CID143906363
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC NameN'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide
SMILESCN(C)CCC(c1cccc(Cl)c1)N(N)/N=C\N
InChIInChI=1S/C12H20ClN5/c1-17(2)7-6-12(18(15)16-9-14)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7,15H2,1-2H3,(H2,14,16)
InChIKeyLQGLCDQIHRKEBC-UHFFFAOYSA-N
XLogP1.41
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[amino-[1-(6-chloro-3-pyridinyl)-3-(dimethylamino)propyl]amino]methanimidamide
CID 143906243
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
1-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]pyrazol-4-amine
CID 90038122
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093670
N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide
CID 143906298
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
N'-[amino-[3-(dimethylamino)-1-(6-fluoronaphthalen-2-yl)propyl]amino]ethanimidamide
CID 143906351
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
CID 55019790
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 76979743
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356

Frequently Asked Questions

What is the IUPAC name of N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide?
The IUPAC name of N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide (CID 143906363) is N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide.
What is the SMILES notation for N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide?
The canonical SMILES for N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide is CN(C)CCC(c1cccc(Cl)c1)N(N)/N=C\N.
What is the InChIKey of N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide?
The InChIKey is LQGLCDQIHRKEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-17(2)7-6-12(18(15)16-9-14)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7,15H2,1-2H3,(H2,14,16).
What are the key properties of N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide?
N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide has a molecular weight of 269.78 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-[1-(3-chlorophenyl)-3-(dimethylamino)propyl]amino]methanimidamide is sourced from PubChem (CID 143906363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).