N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine

C17H37NO — CID 62724021

IUPACN-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
SMILESCCCC(C)(CCOCCC(C)C)CNC(C)(C)C
InChIInChI=1S/C17H37NO/c1-8-10-17(7,14-18-16(4,5)6)11-13-19-12-9-15(2)3/h15,18H,8-14H2,1-7H3
InChIKeyJAFVKMSRRXSFKH-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.63
Rot. Bonds10

About N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine

N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine (PubChem CID 62724021) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
PubChem CID62724021
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC NameN-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
SMILESCCCC(C)(CCOCCC(C)C)CNC(C)(C)C
InChIInChI=1S/C17H37NO/c1-8-10-17(7,14-18-16(4,5)6)11-13-19-12-9-15(2)3/h15,18H,8-14H2,1-7H3
InChIKeyJAFVKMSRRXSFKH-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine (CID 62724021) is N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine is CCCC(C)(CCOCCC(C)C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The InChIKey is JAFVKMSRRXSFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-8-10-17(7,14-18-16(4,5)6)11-13-19-12-9-15(2)3/h15,18H,8-14H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62724021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).