4,7-dimethyloct-1-en-4-amine

C10H21N — CID 59741664

IUPAC4,7-dimethyloct-1-en-4-amine
SMILESC=CCC(C)(N)CCC(C)C
InChIInChI=1S/C10H21N/c1-5-7-10(4,11)8-6-9(2)3/h5,9H,1,6-8,11H2,2-4H3
InChIKeyHHUZWMSOAJOCOB-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds5

About 4,7-dimethyloct-1-en-4-amine

4,7-dimethyloct-1-en-4-amine (PubChem CID 59741664) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4,7-dimethyloct-1-en-4-amine.

Molecular Properties

Compound Name4,7-dimethyloct-1-en-4-amine
PubChem CID59741664
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4,7-dimethyloct-1-en-4-amine
SMILESC=CCC(C)(N)CCC(C)C
InChIInChI=1S/C10H21N/c1-5-7-10(4,11)8-6-9(2)3/h5,9H,1,6-8,11H2,2-4H3
InChIKeyHHUZWMSOAJOCOB-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyloct-1-en-4-amine?
The IUPAC name of 4,7-dimethyloct-1-en-4-amine (CID 59741664) is 4,7-dimethyloct-1-en-4-amine.
What is the SMILES notation for 4,7-dimethyloct-1-en-4-amine?
The canonical SMILES for 4,7-dimethyloct-1-en-4-amine is C=CCC(C)(N)CCC(C)C.
What is the InChIKey of 4,7-dimethyloct-1-en-4-amine?
The InChIKey is HHUZWMSOAJOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-7-10(4,11)8-6-9(2)3/h5,9H,1,6-8,11H2,2-4H3.
What are the key properties of 4,7-dimethyloct-1-en-4-amine?
4,7-dimethyloct-1-en-4-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyloct-1-en-4-amine is sourced from PubChem (CID 59741664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).