N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H15IN- — CID 166139472

IUPACN-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC[I-]NC1CCCc2ccccc21
InChIInChI=1S/C11H15IN/c1-12-13-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,13H,4,6,8H2,1H3/q-1
InChIKeyWYAOARZKCPVFOX-UHFFFAOYSA-N
MW288.15 g/mol
LogP-0.71
Rot. Bonds2

About N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 166139472) has the molecular formula C11H15IN- and a molecular weight of 288.15 g/mol. Its IUPAC name is N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID166139472
Molecular FormulaC11H15IN-
Molecular Weight288.15 g/mol
Exact Mass288.03
IUPAC NameN-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC[I-]NC1CCCc2ccccc21
InChIInChI=1S/C11H15IN/c1-12-13-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,13H,4,6,8H2,1H3/q-1
InChIKeyWYAOARZKCPVFOX-UHFFFAOYSA-N
XLogP-0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine
CID 79100583
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 45098245
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142

Frequently Asked Questions

What is the IUPAC name of N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 166139472) is N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine is C[I-]NC1CCCc2ccccc21.
What is the InChIKey of N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WYAOARZKCPVFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN/c1-12-13-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,13H,4,6,8H2,1H3/q-1.
What are the key properties of N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 288.15 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 166139472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).