1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine

C11H17N2P — CID 59374975

IUPAC1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine
SMILES[C-]#[N+]CC12CC3CC(C1)C(NP)(C3)C2
InChIInChI=1S/C11H17N2P/c1-12-7-10-3-8-2-9(5-10)11(4-8,6-10)13-14/h8-9,13H,2-7,14H2
InChIKeyFWBWLCBBMPLTLJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.23
Rot. Bonds2

About 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine

1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine (PubChem CID 59374975) has the molecular formula C11H17N2P and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine.

Molecular Properties

Compound Name1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine
PubChem CID59374975
Molecular FormulaC11H17N2P
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine
SMILES[C-]#[N+]CC12CC3CC(C1)C(NP)(C3)C2
InChIInChI=1S/C11H17N2P/c1-12-7-10-3-8-2-9(5-10)11(4-8,6-10)13-14/h8-9,13H,2-7,14H2
InChIKeyFWBWLCBBMPLTLJ-UHFFFAOYSA-N
XLogP2.23
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine?
The IUPAC name of 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine (CID 59374975) is 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine.
What is the SMILES notation for 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine?
The canonical SMILES for 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine is [C-]#[N+]CC12CC3CC(C1)C(NP)(C3)C2.
What is the InChIKey of 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine?
The InChIKey is FWBWLCBBMPLTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2P/c1-12-7-10-3-8-2-9(5-10)11(4-8,6-10)13-14/h8-9,13H,2-7,14H2.
What are the key properties of 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine?
1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine has a molecular weight of 208.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(isocyanomethyl)-N-phosphanyltricyclo[3.3.1.03,7]nonan-3-amine is sourced from PubChem (CID 59374975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).