2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine

C18H34N8 — CID 10793911

IUPAC2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine
SMILESCN(C)CCN/C(N)=N/Cc1cccc(C/N=C(\N)NCCN(C)C)c1
InChIInChI=1S/C18H34N8/c1-25(2)10-8-21-17(19)23-13-15-6-5-7-16(12-15)14-24-18(20)22-9-11-26(3)4/h5-7,12H,8-11,13-14H2,1-4H3,(H3,19,21,23)(H3,20,22,24)
InChIKeyIMNDMSIZMOUTIW-UHFFFAOYSA-N
MW362.53 g/mol
LogP-0.38
Rot. Bonds10

About 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine

2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine (PubChem CID 10793911) has the molecular formula C18H34N8 and a molecular weight of 362.53 g/mol. Its IUPAC name is 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine
PubChem CID10793911
Molecular FormulaC18H34N8
Molecular Weight362.53 g/mol
Exact Mass362.29
IUPAC Name2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine
SMILESCN(C)CCN/C(N)=N/Cc1cccc(C/N=C(\N)NCCN(C)C)c1
InChIInChI=1S/C18H34N8/c1-25(2)10-8-21-17(19)23-13-15-6-5-7-16(12-15)14-24-18(20)22-9-11-26(3)4/h5-7,12H,8-11,13-14H2,1-4H3,(H3,19,21,23)(H3,20,22,24)
InChIKeyIMNDMSIZMOUTIW-UHFFFAOYSA-N
XLogP-0.38
TPSA107.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(dimethylamino)phenyl]methyl]-1-propylguanidine
CID 111045594
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-[(dimethylamino)methyl]phenyl]methyl]guanidine
CID 111064448
1-butyl-2-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]guanidine;hydroiodide
CID 111079172
2-[[3-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]phenyl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110062247
1-[(3,4-dimethoxyphenyl)methyl]-2-[[3-[(dimethylamino)methyl]phenyl]methyl]guanidine
CID 111064484
2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine
CID 111054009
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047882
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111047898
3-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 111087259
3-[[[amino-(6-methylheptan-2-ylamino)methylidene]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;hydroiodide
CID 111087290
3-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;hydroiodide
CID 111087258
1-(3-methylbutyl)-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046250

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine?
The IUPAC name of 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine (CID 10793911) is 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine.
What is the SMILES notation for 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine?
The canonical SMILES for 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine is CN(C)CCN/C(N)=N/Cc1cccc(C/N=C(\N)NCCN(C)C)c1.
What is the InChIKey of 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine?
The InChIKey is IMNDMSIZMOUTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N8/c1-25(2)10-8-21-17(19)23-13-15-6-5-7-16(12-15)14-24-18(20)22-9-11-26(3)4/h5-7,12H,8-11,13-14H2,1-4H3,(H3,19,21,23)(H3,20,22,24).
What are the key properties of 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine?
2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine has a molecular weight of 362.53 g/mol, XLogP of -0.38, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[[amino-[2-(dimethylamino)ethylamino]methylidene]amino]methyl]phenyl]methyl]-1-[2-(dimethylamino)ethyl]guanidine is sourced from PubChem (CID 10793911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).