N,4,6-trimethylnon-3-en-1-amine

C12H25N — CID 79599077

IUPACN,4,6-trimethylnon-3-en-1-amine
SMILESCCCC(C)CC(C)=CCCNC
InChIInChI=1S/C12H25N/c1-5-7-11(2)10-12(3)8-6-9-13-4/h8,11,13H,5-7,9-10H2,1-4H3
InChIKeyMUZZXODCUDMVPB-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds7

About N,4,6-trimethylnon-3-en-1-amine

N,4,6-trimethylnon-3-en-1-amine (PubChem CID 79599077) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,4,6-trimethylnon-3-en-1-amine.

Molecular Properties

Compound NameN,4,6-trimethylnon-3-en-1-amine
PubChem CID79599077
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,4,6-trimethylnon-3-en-1-amine
SMILESCCCC(C)CC(C)=CCCNC
InChIInChI=1S/C12H25N/c1-5-7-11(2)10-12(3)8-6-9-13-4/h8,11,13H,5-7,9-10H2,1-4H3
InChIKeyMUZZXODCUDMVPB-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
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,4,6-trimethylnon-3-en-1-amine?
The IUPAC name of N,4,6-trimethylnon-3-en-1-amine (CID 79599077) is N,4,6-trimethylnon-3-en-1-amine.
What is the SMILES notation for N,4,6-trimethylnon-3-en-1-amine?
The canonical SMILES for N,4,6-trimethylnon-3-en-1-amine is CCCC(C)CC(C)=CCCNC.
What is the InChIKey of N,4,6-trimethylnon-3-en-1-amine?
The InChIKey is MUZZXODCUDMVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-11(2)10-12(3)8-6-9-13-4/h8,11,13H,5-7,9-10H2,1-4H3.
What are the key properties of N,4,6-trimethylnon-3-en-1-amine?
N,4,6-trimethylnon-3-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethylnon-3-en-1-amine is sourced from PubChem (CID 79599077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).