N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide

C11H18ClN5 — CID 143906353

IUPACN'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide
SMILESCNCCC(c1ccc(Cl)cc1)N(N)/N=C\N
InChIInChI=1S/C11H18ClN5/c1-15-7-6-11(17(14)16-8-13)9-2-4-10(12)5-3-9/h2-5,8,11,15H,6-7,14H2,1H3,(H2,13,16)
InChIKeyUYNQMZWSMJQFJN-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.07
Rot. Bonds6

About N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide

N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide (PubChem CID 143906353) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide.

Molecular Properties

Compound NameN'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide
PubChem CID143906353
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC NameN'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide
SMILESCNCCC(c1ccc(Cl)cc1)N(N)/N=C\N
InChIInChI=1S/C11H18ClN5/c1-15-7-6-11(17(14)16-8-13)9-2-4-10(12)5-3-9/h2-5,8,11,15H,6-7,14H2,1H3,(H2,13,16)
InChIKeyUYNQMZWSMJQFJN-UHFFFAOYSA-N
XLogP1.07
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.07
H-Bond Donors ≤ 53
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-(4-bromophenyl)-3-(methylamino)propyl]amino]methanimidamide
CID 143906358
3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 112508511
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(4-chloro-N-methylanilino)-4-(methylamino)butan-2-ol
CID 112514513
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 118021340
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763
1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889689
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
4-(4-chlorophenyl)sulfanyl-N-methylbutan-1-amine
CID 62583689

Frequently Asked Questions

What is the IUPAC name of N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide?
The IUPAC name of N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide (CID 143906353) is N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide.
What is the SMILES notation for N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide?
The canonical SMILES for N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide is CNCCC(c1ccc(Cl)cc1)N(N)/N=C\N.
What is the InChIKey of N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide?
The InChIKey is UYNQMZWSMJQFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-15-7-6-11(17(14)16-8-13)9-2-4-10(12)5-3-9/h2-5,8,11,15H,6-7,14H2,1H3,(H2,13,16).
What are the key properties of N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide?
N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide has a molecular weight of 255.75 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-[1-(4-chlorophenyl)-3-(methylamino)propyl]amino]methanimidamide is sourced from PubChem (CID 143906353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).