2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine

C22H47N — CID 90836053

IUPAC2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine
SMILESCCCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C22H47N/c1-12-13-18(2,3)14-19(4,5)15-20(6,7)16-21(8,9)17-22(10,11)23/h12-17,23H2,1-11H3
InChIKeyJIWDQNWYXPZPHP-UHFFFAOYSA-N
MW325.63 g/mol
LogP7.19
Rot. Bonds10

About 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine

2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine (PubChem CID 90836053) has the molecular formula C22H47N and a molecular weight of 325.63 g/mol. Its IUPAC name is 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine.

Molecular Properties

Compound Name2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine
PubChem CID90836053
Molecular FormulaC22H47N
Molecular Weight325.63 g/mol
Exact Mass325.37
IUPAC Name2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine
SMILESCCCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)N
InChIInChI=1S/C22H47N/c1-12-13-18(2,3)14-19(4,5)15-20(6,7)16-21(8,9)17-22(10,11)23/h12-17,23H2,1-11H3
InChIKeyJIWDQNWYXPZPHP-UHFFFAOYSA-N
XLogP7.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4-trimethyldodecan-2-amine
CID 88894727
6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine
CID 155130615
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
ethane;2,2,4,4-tetramethylheptane
CID 143291913
2,4,4,6,6,8,8-heptamethylundec-1-ene
CID 140893403
2,2,4-trimethylpentane-1,4-diamine
CID 87112848
2,4,4,7,7,9-hexamethyldecan-2-amine
CID 123931422
2,4-dimethyl-4-(2-methylpentan-2-yloxy)pentan-2-amine
CID 137447361
3,3-dimethylhexane
CID 11233
6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
6-N,2,4,4,6-pentamethylheptane-2,6-diamine
CID 146667491
3,5,5-trimethyloctan-3-ol
CID 123781250

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine?
The IUPAC name of 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine (CID 90836053) is 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine.
What is the SMILES notation for 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine?
The canonical SMILES for 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine is CCCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)N.
What is the InChIKey of 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine?
The InChIKey is JIWDQNWYXPZPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N/c1-12-13-18(2,3)14-19(4,5)15-20(6,7)16-21(8,9)17-22(10,11)23/h12-17,23H2,1-11H3.
What are the key properties of 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine?
2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine has a molecular weight of 325.63 g/mol, XLogP of 7.19, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine is sourced from PubChem (CID 90836053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).