3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide

C14H21N6P — CID 163613511

IUPAC3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide
SMILES[H]/N=C(\P)C(=C(N)C1CC2=C(C=CCC2)N1)C(=N/C)/N=C/N
InChIInChI=1S/C14H21N6P/c1-18-14(19-7-15)11(13(17)21)12(16)10-6-8-4-2-3-5-9(8)20-10/h3,5,7,10,17,20H,2,4,6,16,21H2,1H3,(H2,15,18,19)/b12-11?,17-13-
InChIKeyJGMAVIAWGQHGGP-PSUNCBPWSA-N
MW304.34 g/mol
LogP1.03
Rot. Bonds3

About 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide

3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide (PubChem CID 163613511) has the molecular formula C14H21N6P and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide.

Molecular Properties

Compound Name3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide
PubChem CID163613511
Molecular FormulaC14H21N6P
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide
SMILES[H]/N=C(\P)C(=C(N)C1CC2=C(C=CCC2)N1)C(=N/C)/N=C/N
InChIInChI=1S/C14H21N6P/c1-18-14(19-7-15)11(13(17)21)12(16)10-6-8-4-2-3-5-9(8)20-10/h3,5,7,10,17,20H,2,4,6,16,21H2,1H3,(H2,15,18,19)/b12-11?,17-13-
InChIKeyJGMAVIAWGQHGGP-PSUNCBPWSA-N
XLogP1.03
TPSA112.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.03
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide?
The IUPAC name of 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide (CID 163613511) is 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide.
What is the SMILES notation for 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide?
The canonical SMILES for 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide is [H]/N=C(\P)C(=C(N)C1CC2=C(C=CCC2)N1)C(=N/C)/N=C/N.
What is the InChIKey of 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide?
The InChIKey is JGMAVIAWGQHGGP-PSUNCBPWSA-N. The full InChI is InChI=1S/C14H21N6P/c1-18-14(19-7-15)11(13(17)21)12(16)10-6-8-4-2-3-5-9(8)20-10/h3,5,7,10,17,20H,2,4,6,16,21H2,1H3,(H2,15,18,19)/b12-11?,17-13-.
What are the key properties of 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide?
3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide has a molecular weight of 304.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(aminomethylidene)-N'-methyl-2-(C-phosphanylcarbonimidoyl)-3-(2,3,4,5-tetrahydro-1H-indol-2-yl)prop-2-enimidamide is sourced from PubChem (CID 163613511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).