N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine

C13H22N4 — CID 6105127

IUPACN"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine
SMILESC/C(CC(C)(C)c1ccccc1)=N\NC(N)N
InChIInChI=1S/C13H22N4/c1-10(16-17-12(14)15)9-13(2,3)11-7-5-4-6-8-11/h4-8,12,17H,9,14-15H2,1-3H3/b16-10+
InChIKeyBEDYVWDCRYITEB-MHWRWJLKSA-N
MW234.35 g/mol
LogP1.52
Rot. Bonds5

About N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine

N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine (PubChem CID 6105127) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine.

Molecular Properties

Compound NameN"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine
PubChem CID6105127
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine
SMILESC/C(CC(C)(C)c1ccccc1)=N\NC(N)N
InChIInChI=1S/C13H22N4/c1-10(16-17-12(14)15)9-13(2,3)11-7-5-4-6-8-11/h4-8,12,17H,9,14-15H2,1-3H3/b16-10+
InChIKeyBEDYVWDCRYITEB-MHWRWJLKSA-N
XLogP1.52
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide
CID 126125541
N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
CID 14914436
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 6105971
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
CID 119571116
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126031826
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
CID 110306885
2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 115899639
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171

Frequently Asked Questions

What is the IUPAC name of N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine?
The IUPAC name of N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine (CID 6105127) is N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine.
What is the SMILES notation for N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine?
The canonical SMILES for N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine is C/C(CC(C)(C)c1ccccc1)=N\NC(N)N.
What is the InChIKey of N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine?
The InChIKey is BEDYVWDCRYITEB-MHWRWJLKSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(16-17-12(14)15)9-13(2,3)11-7-5-4-6-8-11/h4-8,12,17H,9,14-15H2,1-3H3/b16-10+.
What are the key properties of N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine?
N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine has a molecular weight of 234.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N"-[(E)-(4-methyl-4-phenylpentan-2-ylidene)amino]methanetriamine is sourced from PubChem (CID 6105127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).