N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine

C13H30N2O — CID 139518768

IUPACN'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine
SMILESCC(C)OC(C)CCNCCNC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)16-12(3)7-8-14-9-10-15-13(4,5)6/h11-12,14-15H,7-10H2,1-6H3
InChIKeyMHPXOHVWFSDEAL-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.17
Rot. Bonds8

About N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine

N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine (PubChem CID 139518768) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine
PubChem CID139518768
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine
SMILESCC(C)OC(C)CCNCCNC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)16-12(3)7-8-14-9-10-15-13(4,5)6/h11-12,14-15H,7-10H2,1-6H3
InChIKeyMHPXOHVWFSDEAL-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine 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-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine (CID 139518768) is N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine is CC(C)OC(C)CCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine?
The InChIKey is MHPXOHVWFSDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)16-12(3)7-8-14-9-10-15-13(4,5)6/h11-12,14-15H,7-10H2,1-6H3.
What are the key properties of N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine?
N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine is sourced from PubChem (CID 139518768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).