1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine

C14H30N2O — CID 103226340

IUPAC1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCOCC(CNC(C)(C)C)N(C)CC1CCC1
InChIInChI=1S/C14H30N2O/c1-14(2,3)15-9-13(11-17-5)16(4)10-12-7-6-8-12/h12-13,15H,6-11H2,1-5H3
InChIKeyGKQXWAKZVAARSP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine

1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine (PubChem CID 103226340) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
PubChem CID103226340
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCOCC(CNC(C)(C)C)N(C)CC1CCC1
InChIInChI=1S/C14H30N2O/c1-14(2,3)15-9-13(11-17-5)16(4)10-12-7-6-8-12/h12-13,15H,6-11H2,1-5H3
InChIKeyGKQXWAKZVAARSP-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-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 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine (CID 103226340) is 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine is COCC(CNC(C)(C)C)N(C)CC1CCC1.
What is the InChIKey of 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine?
The InChIKey is GKQXWAKZVAARSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)15-9-13(11-17-5)16(4)10-12-7-6-8-12/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine?
1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103226340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).