[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium

C13H21N2+ — CID 6340999

IUPAC[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium
SMILESCC(C)Cc1ccc([C@@H](C)C(N)=[NH2+])cc1
InChIInChI=1S/C13H20N2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H3,14,15)/p+1/t10-/m1/s1
InChIKeyBRAQQUBPTZFZLG-SNVBAGLBSA-O
MW205.32 g/mol
LogP1.10
Rot. Bonds4

About [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium

[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium (PubChem CID 6340999) has the molecular formula C13H21N2+ and a molecular weight of 205.32 g/mol. Its IUPAC name is [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium.

Molecular Properties

Compound Name[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium
PubChem CID6340999
Molecular FormulaC13H21N2+
Molecular Weight205.32 g/mol
Exact Mass205.17
IUPAC Name[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium
SMILESCC(C)Cc1ccc([C@@H](C)C(N)=[NH2+])cc1
InChIInChI=1S/C13H20N2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H3,14,15)/p+1/t10-/m1/s1
InChIKeyBRAQQUBPTZFZLG-SNVBAGLBSA-O
XLogP1.10
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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

(2S)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066412
(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066411
(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 6954288
(2S)-N'-methyl-2-[4-(2-methylpropyl)phenyl]propanimidamide;hydrochloride
CID 67369642
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide
CID 6984096
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
potassium;2-[4-(2-methylpropyl)phenyl]propanoate;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 46175191

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium?
The IUPAC name of [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium (CID 6340999) is [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium.
What is the SMILES notation for [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium?
The canonical SMILES for [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium is CC(C)Cc1ccc([C@@H](C)C(N)=[NH2+])cc1.
What is the InChIKey of [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium?
The InChIKey is BRAQQUBPTZFZLG-SNVBAGLBSA-O. The full InChI is InChI=1S/C13H20N2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H3,14,15)/p+1/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium?
[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium has a molecular weight of 205.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium is sourced from PubChem (CID 6340999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).