4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine

C13H20N2 — CID 158726283

IUPAC4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine
SMILES[C-]#[N+]C1CC2CC3CC1CC(NC)(C3)C2
InChIInChI=1S/C13H20N2/c1-14-12-5-10-3-9-4-11(12)8-13(6-9,7-10)15-2/h9-12,15H,3-8H2,2H3
InChIKeyDDUZCNMIJYQOJD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.46
Rot. Bonds1

About 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine

4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine (PubChem CID 158726283) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine.

Molecular Properties

Compound Name4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine
PubChem CID158726283
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine
SMILES[C-]#[N+]C1CC2CC3CC1CC(NC)(C3)C2
InChIInChI=1S/C13H20N2/c1-14-12-5-10-3-9-4-11(12)8-13(6-9,7-10)15-2/h9-12,15H,3-8H2,2H3
InChIKeyDDUZCNMIJYQOJD-UHFFFAOYSA-N
XLogP2.46
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyladamantan-1-amine
CID 19476
N-methyltricyclo[4.3.1.13,8]undecan-1-amine
CID 123976762
5-isocyano-2,2-dimethylbicyclo[2.2.1]heptane
CID 88900049
N-(1-adamantyl)adamantan-2-amine;hydrochloride
CID 163325641
N-(1-adamantyl)methanesulfonamide
CID 2932031
N-dimethylsilyladamantan-1-amine
CID 151865099
1-(1-adamantylamino)-N-methylmethanesulfonamide
CID 123878193
N-(4-propan-2-yl-1-adamantyl)methanesulfonamide
CID 59495975
N-[(3S,5R)-4-methyl-1-adamantyl]acetamide
CID 11896190
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
2-(1-adamantyl)-1,1-dimethylhydrazine;hydrochloride
CID 70525718
1-(dimethylsulfamoylamino)adamantane
CID 35326743

Frequently Asked Questions

What is the IUPAC name of 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine?
The IUPAC name of 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine (CID 158726283) is 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine.
What is the SMILES notation for 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine?
The canonical SMILES for 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine is [C-]#[N+]C1CC2CC3CC1CC(NC)(C3)C2.
What is the InChIKey of 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine?
The InChIKey is DDUZCNMIJYQOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-12-5-10-3-9-4-11(12)8-13(6-9,7-10)15-2/h9-12,15H,3-8H2,2H3.
What are the key properties of 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine?
4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-N-methyltricyclo[4.3.1.13,8]undecan-1-amine is sourced from PubChem (CID 158726283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).