N-chloro-1-cuban-1-ylmethanamine

C9H10ClN — CID 167118567

IUPACN-chloro-1-cuban-1-ylmethanamine
SMILESClNCC12C3C4C5C3C1C5C42
InChIInChI=1S/C9H10ClN/c10-11-1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8,11H,1H2
InChIKeyZEPXKAQXALDUQH-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.10
Rot. Bonds2

About N-chloro-1-cuban-1-ylmethanamine

N-chloro-1-cuban-1-ylmethanamine (PubChem CID 167118567) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is N-chloro-1-cuban-1-ylmethanamine.

Molecular Properties

Compound NameN-chloro-1-cuban-1-ylmethanamine
PubChem CID167118567
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC NameN-chloro-1-cuban-1-ylmethanamine
SMILESClNCC12C3C4C5C3C1C5C42
InChIInChI=1S/C9H10ClN/c10-11-1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8,11H,1H2
InChIKeyZEPXKAQXALDUQH-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-1-cuban-1-ylmethanamine?
The IUPAC name of N-chloro-1-cuban-1-ylmethanamine (CID 167118567) is N-chloro-1-cuban-1-ylmethanamine.
What is the SMILES notation for N-chloro-1-cuban-1-ylmethanamine?
The canonical SMILES for N-chloro-1-cuban-1-ylmethanamine is ClNCC12C3C4C5C3C1C5C42.
What is the InChIKey of N-chloro-1-cuban-1-ylmethanamine?
The InChIKey is ZEPXKAQXALDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-11-1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8,11H,1H2.
What are the key properties of N-chloro-1-cuban-1-ylmethanamine?
N-chloro-1-cuban-1-ylmethanamine has a molecular weight of 167.64 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-cuban-1-ylmethanamine is sourced from PubChem (CID 167118567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).