N-(1-phenylethyl)propan-2-amine;rutherfordium

C11H16NRf- — CID 134973086

IUPACN-(1-phenylethyl)propan-2-amine;rutherfordium
SMILESCC(C)NC(C)c1cc[c-]cc1.[Rf]
InChIInChI=1S/C11H16N.Rf/c1-9(2)12-10(3)11-7-5-4-6-8-11;/h5-10,12H,1-3H3;/q-1;
InChIKeyHWDIGOWBKKJXDO-UHFFFAOYSA-N
MW429.26 g/mol
LogP2.55
Rot. Bonds3

About N-(1-phenylethyl)propan-2-amine;rutherfordium

N-(1-phenylethyl)propan-2-amine;rutherfordium (PubChem CID 134973086) has the molecular formula C11H16NRf- and a molecular weight of 429.26 g/mol. Its IUPAC name is N-(1-phenylethyl)propan-2-amine;rutherfordium.

Molecular Properties

Compound NameN-(1-phenylethyl)propan-2-amine;rutherfordium
PubChem CID134973086
Molecular FormulaC11H16NRf-
Molecular Weight429.26 g/mol
Exact Mass429.25
IUPAC NameN-(1-phenylethyl)propan-2-amine;rutherfordium
SMILESCC(C)NC(C)c1cc[c-]cc1.[Rf]
InChIInChI=1S/C11H16N.Rf/c1-9(2)12-10(3)11-7-5-4-6-8-11;/h5-10,12H,1-3H3;/q-1;
InChIKeyHWDIGOWBKKJXDO-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)propan-2-amine;rutherfordium?
The IUPAC name of N-(1-phenylethyl)propan-2-amine;rutherfordium (CID 134973086) is N-(1-phenylethyl)propan-2-amine;rutherfordium.
What is the SMILES notation for N-(1-phenylethyl)propan-2-amine;rutherfordium?
The canonical SMILES for N-(1-phenylethyl)propan-2-amine;rutherfordium is CC(C)NC(C)c1cc[c-]cc1.[Rf].
What is the InChIKey of N-(1-phenylethyl)propan-2-amine;rutherfordium?
The InChIKey is HWDIGOWBKKJXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.Rf/c1-9(2)12-10(3)11-7-5-4-6-8-11;/h5-10,12H,1-3H3;/q-1;.
What are the key properties of N-(1-phenylethyl)propan-2-amine;rutherfordium?
N-(1-phenylethyl)propan-2-amine;rutherfordium has a molecular weight of 429.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)propan-2-amine;rutherfordium is sourced from PubChem (CID 134973086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).