3,3-dimethyldec-9-en-1-amine

C12H25N — CID 107010664

IUPAC3,3-dimethyldec-9-en-1-amine
SMILESC=CCCCCCC(C)(C)CCN
InChIInChI=1S/C12H25N/c1-4-5-6-7-8-9-12(2,3)10-11-13/h4H,1,5-11,13H2,2-3H3
InChIKeyCFQSJQYWWRAYRG-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.50
Rot. Bonds8

About 3,3-dimethyldec-9-en-1-amine

3,3-dimethyldec-9-en-1-amine (PubChem CID 107010664) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,3-dimethyldec-9-en-1-amine.

Molecular Properties

Compound Name3,3-dimethyldec-9-en-1-amine
PubChem CID107010664
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,3-dimethyldec-9-en-1-amine
SMILESC=CCCCCCC(C)(C)CCN
InChIInChI=1S/C12H25N/c1-4-5-6-7-8-9-12(2,3)10-11-13/h4H,1,5-11,13H2,2-3H3
InChIKeyCFQSJQYWWRAYRG-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.50
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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Related Compounds

4,4-dimethylhenicosa-1,20-diene
CID 173392641
7,7,10-trimethylundec-1-ene
CID 173422023
3,3-dimethylpentadecan-1-amine
CID 81014127
heptadec-16-en-1-amine
CID 15590771
9-bromo-6,6-dimethylnon-1-ene
CID 170848048
docos-21-en-1-amine;hydrochloride
CID 153323410
7-fluoro-7-methyloct-1-ene
CID 87159398
2,3,3-trimethyltetradec-13-en-2-ol
CID 15425796
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2,2-dimethylhept-6-en-1-ol
CID 12063159
N'-hept-6-enylethane-1,2-diamine
CID 107006766

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldec-9-en-1-amine?
The IUPAC name of 3,3-dimethyldec-9-en-1-amine (CID 107010664) is 3,3-dimethyldec-9-en-1-amine.
What is the SMILES notation for 3,3-dimethyldec-9-en-1-amine?
The canonical SMILES for 3,3-dimethyldec-9-en-1-amine is C=CCCCCCC(C)(C)CCN.
What is the InChIKey of 3,3-dimethyldec-9-en-1-amine?
The InChIKey is CFQSJQYWWRAYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-6-7-8-9-12(2,3)10-11-13/h4H,1,5-11,13H2,2-3H3.
What are the key properties of 3,3-dimethyldec-9-en-1-amine?
3,3-dimethyldec-9-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldec-9-en-1-amine is sourced from PubChem (CID 107010664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).