N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine

C14H31NO2 — CID 103412332

IUPACN-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine
SMILESCCC(CCCOCCOC)CNC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-6-13(12-15-14(2,3)4)8-7-9-17-11-10-16-5/h13,15H,6-12H2,1-5H3
InChIKeyJPUIHQVNFIMTAQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.84
Rot. Bonds10

About N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine

N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine (PubChem CID 103412332) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine
PubChem CID103412332
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine
SMILESCCC(CCCOCCOC)CNC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-6-13(12-15-14(2,3)4)8-7-9-17-11-10-16-5/h13,15H,6-12H2,1-5H3
InChIKeyJPUIHQVNFIMTAQ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(2-(2-Methoxyethoxy)ethoxy)ethyl)piperidine
CID 56829888
N-tert-butyl-2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62515033
3-(3-Propoxypropyl)pyrrolidine
CID 53958403
N-tert-butyl-5-(4-methylpentoxy)pentan-1-amine
CID 55077466
N-tert-butyl-5-(3-methylbutoxy)pentan-1-amine
CID 62445168
2-methyl-N-[2-(oxan-3-yl)ethyl]propan-2-amine
CID 64866850
5-ethoxy-2-ethyl-N-methylpentan-1-amine
CID 65180417
6-ethoxy-4-ethyl-N-propylhexan-1-amine
CID 88903978
6-ethoxy-N-ethyl-2-methylhexan-2-amine
CID 123957035
(3R)-3-(3-ethoxypropyl)pyrrolidine
CID 134397477
3,4-dimethyl-N-[3-(oxolan-3-yl)butyl]pentan-1-amine
CID 139410283
(3S)-3-(3-ethoxypropyl)pyrrolidine
CID 146397998

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine (CID 103412332) is N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine is CCC(CCCOCCOC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine?
The InChIKey is JPUIHQVNFIMTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-13(12-15-14(2,3)4)8-7-9-17-11-10-16-5/h13,15H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine?
N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine is sourced from PubChem (CID 103412332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).