N-(2-deuterioprop-2-enyl)hexan-1-amine

C9H19N — CID 10057596

IUPACN-(2-deuterioprop-2-enyl)hexan-1-amine
SMILES[2H]C(=C)CNCCCCCC
InChIInChI=1S/C9H19N/c1-3-5-6-7-9-10-8-4-2/h4,10H,2-3,5-9H2,1H3/i4D
InChIKeySVMFHPLSSJXOTA-QYKNYGDISA-N
MW142.26 g/mol
LogP2.34
Rot. Bonds7

About N-(2-deuterioprop-2-enyl)hexan-1-amine

N-(2-deuterioprop-2-enyl)hexan-1-amine (PubChem CID 10057596) has the molecular formula C9H19N and a molecular weight of 142.26 g/mol. Its IUPAC name is N-(2-deuterioprop-2-enyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-deuterioprop-2-enyl)hexan-1-amine
PubChem CID10057596
Molecular FormulaC9H19N
Molecular Weight142.26 g/mol
Exact Mass142.16
IUPAC NameN-(2-deuterioprop-2-enyl)hexan-1-amine
SMILES[2H]C(=C)CNCCCCCC
InChIInChI=1S/C9H19N/c1-3-5-6-7-9-10-8-4-2/h4,10H,2-3,5-9H2,1H3/i4D
InChIKeySVMFHPLSSJXOTA-QYKNYGDISA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-deuterioprop-2-enyl)hexan-1-amine?
The IUPAC name of N-(2-deuterioprop-2-enyl)hexan-1-amine (CID 10057596) is N-(2-deuterioprop-2-enyl)hexan-1-amine.
What is the SMILES notation for N-(2-deuterioprop-2-enyl)hexan-1-amine?
The canonical SMILES for N-(2-deuterioprop-2-enyl)hexan-1-amine is [2H]C(=C)CNCCCCCC.
What is the InChIKey of N-(2-deuterioprop-2-enyl)hexan-1-amine?
The InChIKey is SVMFHPLSSJXOTA-QYKNYGDISA-N. The full InChI is InChI=1S/C9H19N/c1-3-5-6-7-9-10-8-4-2/h4,10H,2-3,5-9H2,1H3/i4D.
What are the key properties of N-(2-deuterioprop-2-enyl)hexan-1-amine?
N-(2-deuterioprop-2-enyl)hexan-1-amine has a molecular weight of 142.26 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-deuterioprop-2-enyl)hexan-1-amine is sourced from PubChem (CID 10057596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).