N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine

C15H33NO — CID 65177873

IUPACN-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine
SMILESCCCC(C)(CCCOCC)CNC(C)(C)C
InChIInChI=1S/C15H33NO/c1-7-10-15(6,11-9-12-17-8-2)13-16-14(3,4)5/h16H,7-13H2,1-6H3
InChIKeyCPQMEGJKYSKVMX-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds9

About N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine

N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine (PubChem CID 65177873) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine
PubChem CID65177873
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine
SMILESCCCC(C)(CCCOCC)CNC(C)(C)C
InChIInChI=1S/C15H33NO/c1-7-10-15(6,11-9-12-17-8-2)13-16-14(3,4)5/h16H,7-13H2,1-6H3
InChIKeyCPQMEGJKYSKVMX-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-methyl-2-propylpentan-1-ol
CID 66026142
N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456865
N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62724021
N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
CID 155219490
N-tert-butyl-2-ethyl-2-methylheptan-1-amine
CID 63508148
5-ethoxy-2-ethyl-2-methylpentan-1-ol
CID 66059379
N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
CID 62723418
5-ethoxy-N,2-dimethylpentan-2-amine
CID 135220051
1-ethoxy-4,4-dimethylhexane
CID 89037329
N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine
CID 62259971
N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940499

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine?
The IUPAC name of N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine (CID 65177873) is N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine?
The canonical SMILES for N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine is CCCC(C)(CCCOCC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine?
The InChIKey is CPQMEGJKYSKVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-10-15(6,11-9-12-17-8-2)13-16-14(3,4)5/h16H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine?
N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 65177873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).