2,2,4,4-tetramethyl-N-propylpentan-1-amine

C12H27N — CID 177180730

IUPAC2,2,4,4-tetramethyl-N-propylpentan-1-amine
SMILESCCCNCC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H27N/c1-7-8-13-10-12(5,6)9-11(2,3)4/h13H,7-10H2,1-6H3
InChIKeyWFEQNMNERMRDNB-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds5

About 2,2,4,4-tetramethyl-N-propylpentan-1-amine

2,2,4,4-tetramethyl-N-propylpentan-1-amine (PubChem CID 177180730) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-propylpentan-1-amine
PubChem CID177180730
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,2,4,4-tetramethyl-N-propylpentan-1-amine
SMILESCCCNCC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H27N/c1-7-8-13-10-12(5,6)9-11(2,3)4/h13H,7-10H2,1-6H3
InChIKeyWFEQNMNERMRDNB-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-propylpentan-1-amine?
The IUPAC name of 2,2,4,4-tetramethyl-N-propylpentan-1-amine (CID 177180730) is 2,2,4,4-tetramethyl-N-propylpentan-1-amine.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-propylpentan-1-amine?
The canonical SMILES for 2,2,4,4-tetramethyl-N-propylpentan-1-amine is CCCNCC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-propylpentan-1-amine?
The InChIKey is WFEQNMNERMRDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-8-13-10-12(5,6)9-11(2,3)4/h13H,7-10H2,1-6H3.
What are the key properties of 2,2,4,4-tetramethyl-N-propylpentan-1-amine?
2,2,4,4-tetramethyl-N-propylpentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-propylpentan-1-amine is sourced from PubChem (CID 177180730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).