2,2,4-trimethyltridec-12-en-6-amine

C16H33N — CID 107012033

IUPAC2,2,4-trimethyltridec-12-en-6-amine
SMILESC=CCCCCCC(N)CC(C)CC(C)(C)C
InChIInChI=1S/C16H33N/c1-6-7-8-9-10-11-15(17)12-14(2)13-16(3,4)5/h6,14-15H,1,7-13,17H2,2-5H3
InChIKeyNTXYQAKDFYCCLL-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.91
Rot. Bonds9

About 2,2,4-trimethyltridec-12-en-6-amine

2,2,4-trimethyltridec-12-en-6-amine (PubChem CID 107012033) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2,2,4-trimethyltridec-12-en-6-amine.

Molecular Properties

Compound Name2,2,4-trimethyltridec-12-en-6-amine
PubChem CID107012033
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2,2,4-trimethyltridec-12-en-6-amine
SMILESC=CCCCCCC(N)CC(C)CC(C)(C)C
InChIInChI=1S/C16H33N/c1-6-7-8-9-10-11-15(17)12-14(2)13-16(3,4)5/h6,14-15H,1,7-13,17H2,2-5H3
InChIKeyNTXYQAKDFYCCLL-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.91
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

3-methyldodec-11-en-5-amine
CID 107011856
6,8,8-trimethylnon-1-en-4-amine
CID 115813808
6,8,8-trimethylnon-1-ene
CID 55273877
8,10,10-trimethylundec-1-en-6-ylhydrazine
CID 105311247
2-methylnon-8-en-4-amine
CID 11829678
1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine
CID 115865137
15,16,16-trimethylheptadec-1-ene
CID 174505406
octadec-17-ene-1,1-diamine
CID 87111501
26-methylheptacos-1-ene
CID 154926473
25-methylhexacos-1-ene
CID 141407501
2,2,4,8,10-pentamethylundecan-6-amine
CID 114201813
11-methyltridec-1-ene
CID 528465

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyltridec-12-en-6-amine?
The IUPAC name of 2,2,4-trimethyltridec-12-en-6-amine (CID 107012033) is 2,2,4-trimethyltridec-12-en-6-amine.
What is the SMILES notation for 2,2,4-trimethyltridec-12-en-6-amine?
The canonical SMILES for 2,2,4-trimethyltridec-12-en-6-amine is C=CCCCCCC(N)CC(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethyltridec-12-en-6-amine?
The InChIKey is NTXYQAKDFYCCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-7-8-9-10-11-15(17)12-14(2)13-16(3,4)5/h6,14-15H,1,7-13,17H2,2-5H3.
What are the key properties of 2,2,4-trimethyltridec-12-en-6-amine?
2,2,4-trimethyltridec-12-en-6-amine has a molecular weight of 239.45 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyltridec-12-en-6-amine is sourced from PubChem (CID 107012033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).