N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine

C14H31NO — CID 62444012

IUPACN-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine
SMILESCC(C)CCOC(CNC(C)(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-11(2)8-9-16-13(12(3)4)10-15-14(5,6)7/h11-13,15H,8-10H2,1-7H3
InChIKeyDPDXQNHMFQZVGO-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds7

About N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine

N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine (PubChem CID 62444012) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine
PubChem CID62444012
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine
SMILESCC(C)CCOC(CNC(C)(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-11(2)8-9-16-13(12(3)4)10-15-14(5,6)7/h11-13,15H,8-10H2,1-7H3
InChIKeyDPDXQNHMFQZVGO-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-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-3-methyl-2-(3-methylbutoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine (CID 62444012) is N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine is CC(C)CCOC(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine?
The InChIKey is DPDXQNHMFQZVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-11(2)8-9-16-13(12(3)4)10-15-14(5,6)7/h11-13,15H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine?
N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine is sourced from PubChem (CID 62444012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).