(5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine

C10H22AsN — CID 175846791

IUPAC(5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine
SMILESCC1(C)CC([AsH2])CC(C)(CN)C1
InChIInChI=1S/C10H22AsN/c1-9(2)4-8(11)5-10(3,6-9)7-12/h8H,4-7,11-12H2,1-3H3
InChIKeyYUAODNZXWSPNIW-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.58
Rot. Bonds1

About (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine

(5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine (PubChem CID 175846791) has the molecular formula C10H22AsN and a molecular weight of 231.21 g/mol. Its IUPAC name is (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine
PubChem CID175846791
Molecular FormulaC10H22AsN
Molecular Weight231.21 g/mol
Exact Mass231.10
IUPAC Name(5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine
SMILESCC1(C)CC([AsH2])CC(C)(CN)C1
InChIInChI=1S/C10H22AsN/c1-9(2)4-8(11)5-10(3,6-9)7-12/h8H,4-7,11-12H2,1-3H3
InChIKeyYUAODNZXWSPNIW-UHFFFAOYSA-N
XLogP1.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine?
The IUPAC name of (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine (CID 175846791) is (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine.
What is the SMILES notation for (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine?
The canonical SMILES for (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine is CC1(C)CC([AsH2])CC(C)(CN)C1.
What is the InChIKey of (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine?
The InChIKey is YUAODNZXWSPNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22AsN/c1-9(2)4-8(11)5-10(3,6-9)7-12/h8H,4-7,11-12H2,1-3H3.
What are the key properties of (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine?
(5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine has a molecular weight of 231.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-arsanyl-1,3,3-trimethylcyclohexyl)methanamine is sourced from PubChem (CID 175846791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).