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

C16H35NO — CID 106456865

IUPACN-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
SMILESCCCC(C)(CCOCC(C)C)CNC(C)(C)C
InChIInChI=1S/C16H35NO/c1-8-9-16(7,13-17-15(4,5)6)10-11-18-12-14(2)3/h14,17H,8-13H2,1-7H3
InChIKeyTUXWYNWKMYESDU-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.24
Rot. Bonds9

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

N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine (PubChem CID 106456865) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
PubChem CID106456865
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
SMILESCCCC(C)(CCOCC(C)C)CNC(C)(C)C
InChIInChI=1S/C16H35NO/c1-8-9-16(7,13-17-15(4,5)6)10-11-18-12-14(2)3/h14,17H,8-13H2,1-7H3
InChIKeyTUXWYNWKMYESDU-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.24
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-(2-methylpropoxy)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

Related Compounds

N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62724021
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine
CID 65177873
1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
CID 106459785
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2-methylpropoxy)butan-1-amine
CID 106456931
3,3-bis(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459822
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 104566543
N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
CID 55106599
2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456797
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine (CID 106456865) is N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine is CCCC(C)(CCOCC(C)C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine?
The InChIKey is TUXWYNWKMYESDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-8-9-16(7,13-17-15(4,5)6)10-11-18-12-14(2)3/h14,17H,8-13H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine?
N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.24, 9 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-(2-methylpropoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 106456865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).