N,N-dimethyloct-2-en-2-amine

C10H21N — CID 170848040

IUPACN,N-dimethyloct-2-en-2-amine
SMILESCCCCCC=C(C)N(C)C
InChIInChI=1S/C10H21N/c1-5-6-7-8-9-10(2)11(3)4/h9H,5-8H2,1-4H3
InChIKeyVHEPEMZFSWLNAL-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.03
Rot. Bonds5

About N,N-dimethyloct-2-en-2-amine

N,N-dimethyloct-2-en-2-amine (PubChem CID 170848040) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,N-dimethyloct-2-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyloct-2-en-2-amine
PubChem CID170848040
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,N-dimethyloct-2-en-2-amine
SMILESCCCCCC=C(C)N(C)C
InChIInChI=1S/C10H21N/c1-5-6-7-8-9-10(2)11(3)4/h9H,5-8H2,1-4H3
InChIKeyVHEPEMZFSWLNAL-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloct-2-en-2-amine?
The IUPAC name of N,N-dimethyloct-2-en-2-amine (CID 170848040) is N,N-dimethyloct-2-en-2-amine.
What is the SMILES notation for N,N-dimethyloct-2-en-2-amine?
The canonical SMILES for N,N-dimethyloct-2-en-2-amine is CCCCCC=C(C)N(C)C.
What is the InChIKey of N,N-dimethyloct-2-en-2-amine?
The InChIKey is VHEPEMZFSWLNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-7-8-9-10(2)11(3)4/h9H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyloct-2-en-2-amine?
N,N-dimethyloct-2-en-2-amine has a molecular weight of 155.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloct-2-en-2-amine is sourced from PubChem (CID 170848040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).