(10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine

C14H20IN — CID 163446125

IUPAC(10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine
SMILESCC1C(N)C2CC3C4CCC4C4C(I)C1C234
InChIInChI=1S/C14H20IN/c1-5-10-12(15)11-7-3-2-6(7)8-4-9(13(5)16)14(8,10)11/h5-13H,2-4,16H2,1H3
InChIKeyBCRFOXFVFRPLPV-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.68
Rot. Bonds

About (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine

(10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine (PubChem CID 163446125) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine.

Molecular Properties

Compound Name(10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine
PubChem CID163446125
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name(10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine
SMILESCC1C(N)C2CC3C4CCC4C4C(I)C1C234
InChIInChI=1S/C14H20IN/c1-5-10-12(15)11-7-3-2-6(7)8-4-9(13(5)16)14(8,10)11/h5-13H,2-4,16H2,1H3
InChIKeyBCRFOXFVFRPLPV-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.68
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'}

Analyze (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine?
The IUPAC name of (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine (CID 163446125) is (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine.
What is the SMILES notation for (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine?
The canonical SMILES for (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine is CC1C(N)C2CC3C4CCC4C4C(I)C1C234.
What is the InChIKey of (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine?
The InChIKey is BCRFOXFVFRPLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-5-10-12(15)11-7-3-2-6(7)8-4-9(13(5)16)14(8,10)11/h5-13H,2-4,16H2,1H3.
What are the key properties of (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine?
(10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine has a molecular weight of 329.23 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-12-iodo-10-methylpentacyclo[6.4.1.02,5.06,13.011,13]tridecan-9-amine is sourced from PubChem (CID 163446125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).