4,5-dimethylnon-8-en-2-amine

C11H23N — CID 123559752

IUPAC4,5-dimethylnon-8-en-2-amine
SMILESC=CCCC(C)C(C)CC(C)N
InChIInChI=1S/C11H23N/c1-5-6-7-9(2)10(3)8-11(4)12/h5,9-11H,1,6-8,12H2,2-4H3
InChIKeyVKTNVJOQNIUULU-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.96
Rot. Bonds6

About 4,5-dimethylnon-8-en-2-amine

4,5-dimethylnon-8-en-2-amine (PubChem CID 123559752) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4,5-dimethylnon-8-en-2-amine.

Molecular Properties

Compound Name4,5-dimethylnon-8-en-2-amine
PubChem CID123559752
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4,5-dimethylnon-8-en-2-amine
SMILESC=CCCC(C)C(C)CC(C)N
InChIInChI=1S/C11H23N/c1-5-6-7-9(2)10(3)8-11(4)12/h5,9-11H,1,6-8,12H2,2-4H3
InChIKeyVKTNVJOQNIUULU-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6,8-trimethylnon-1-ene
CID 123478459
(3S)-3-methylhepta-1,6-diene
CID 145257056
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
2-[(2S)-hex-5-en-2-yl]propanedioic acid
CID 172869361
2-methylnon-8-en-4-amine
CID 11829678
hex-5-ene-2-thiol
CID 12575095
5-butyl-7,8-dimethylnon-1-ene
CID 123319665
5-ethyl-6-methyloct-1-ene
CID 123326070
(4S)-octa-1,7-dien-4-amine
CID 124537914
5-methyl-6-propan-2-yldec-1-ene
CID 90885410
5,9,10-trimethyldodec-1-ene
CID 123401596

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylnon-8-en-2-amine?
The IUPAC name of 4,5-dimethylnon-8-en-2-amine (CID 123559752) is 4,5-dimethylnon-8-en-2-amine.
What is the SMILES notation for 4,5-dimethylnon-8-en-2-amine?
The canonical SMILES for 4,5-dimethylnon-8-en-2-amine is C=CCCC(C)C(C)CC(C)N.
What is the InChIKey of 4,5-dimethylnon-8-en-2-amine?
The InChIKey is VKTNVJOQNIUULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-7-9(2)10(3)8-11(4)12/h5,9-11H,1,6-8,12H2,2-4H3.
What are the key properties of 4,5-dimethylnon-8-en-2-amine?
4,5-dimethylnon-8-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylnon-8-en-2-amine is sourced from PubChem (CID 123559752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).