(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide

C13H20N2 — CID 6954288

IUPAC(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide
SMILES[H]/N=C(\N)[C@@H](C)c1ccc(CC(C)C)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)/t10-/m0/s1
InChIKeyBRAQQUBPTZFZLG-JTQLQIEISA-N
MW204.32 g/mol
LogP2.92
Rot. Bonds4

About (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide

(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide (PubChem CID 6954288) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide
PubChem CID6954288
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide
SMILES[H]/N=C(\N)[C@@H](C)c1ccc(CC(C)C)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)/t10-/m0/s1
InChIKeyBRAQQUBPTZFZLG-JTQLQIEISA-N
XLogP2.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium
CID 6340999
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
(2S)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066412
(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066411
(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
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide (CID 6954288) is (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide.
What is the SMILES notation for (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The canonical SMILES for (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide is [H]/N=C(\N)[C@@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The InChIKey is BRAQQUBPTZFZLG-JTQLQIEISA-N. 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)/t10-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide?
(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide has a molecular weight of 204.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide is sourced from PubChem (CID 6954288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).