(2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide

C15H24N4 — CID 145004988

IUPAC(2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
SMILESC=c1cccc/c1=C(N)/C(=N/C)NCCCN(C)C
InChIInChI=1S/C15H24N4/c1-12-8-5-6-9-13(12)14(16)15(17-2)18-10-7-11-19(3)4/h5-6,8-9H,1,7,10-11,16H2,2-4H3,(H,17,18)/b14-13+
InChIKeyKHLJSIRZIYFTEU-BUHFOSPRSA-N
MW260.38 g/mol
LogP-0.27
Rot. Bonds5

About (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide

(2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide (PubChem CID 145004988) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide.

Molecular Properties

Compound Name(2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
PubChem CID145004988
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name(2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
SMILESC=c1cccc/c1=C(N)/C(=N/C)NCCCN(C)C
InChIInChI=1S/C15H24N4/c1-12-8-5-6-9-13(12)14(16)15(17-2)18-10-7-11-19(3)4/h5-6,8-9H,1,7,10-11,16H2,2-4H3,(H,17,18)/b14-13+
InChIKeyKHLJSIRZIYFTEU-BUHFOSPRSA-N
XLogP-0.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The IUPAC name of (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide (CID 145004988) is (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide.
What is the SMILES notation for (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The canonical SMILES for (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide is C=c1cccc/c1=C(N)/C(=N/C)NCCCN(C)C.
What is the InChIKey of (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The InChIKey is KHLJSIRZIYFTEU-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-8-5-6-9-13(12)14(16)15(17-2)18-10-7-11-19(3)4/h5-6,8-9H,1,7,10-11,16H2,2-4H3,(H,17,18)/b14-13+.
What are the key properties of (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide?
(2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide has a molecular weight of 260.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-N-[3-(dimethylamino)propyl]-N'-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide is sourced from PubChem (CID 145004988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).