1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine

C14H30N2O — CID 103556578

IUPAC1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine
SMILESCOC1(CCNC(C)CNC(C)(C)C)CCC1
InChIInChI=1S/C14H30N2O/c1-12(11-16-13(2,3)4)15-10-9-14(17-5)7-6-8-14/h12,15-16H,6-11H2,1-5H3
InChIKeyXPOKTIGPLLIZDV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.31
Rot. Bonds7

About 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine

1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine (PubChem CID 103556578) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine
PubChem CID103556578
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine
SMILESCOC1(CCNC(C)CNC(C)(C)C)CCC1
InChIInChI=1S/C14H30N2O/c1-12(11-16-13(2,3)4)15-10-9-14(17-5)7-6-8-14/h12,15-16H,6-11H2,1-5H3
InChIKeyXPOKTIGPLLIZDV-UHFFFAOYSA-N
XLogP2.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Butoxy-1-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 90327586
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine
CID 170267583
1-cyclobutyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 176120507
1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43147147
N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine
CID 60888357
1-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81300621
2-(1-methoxycyclobutyl)-N-methylethanamine
CID 83904947
1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102673386
1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019944
1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine
CID 103033615
N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033632

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine (CID 103556578) is 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine is COC1(CCNC(C)CNC(C)(C)C)CCC1.
What is the InChIKey of 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine?
The InChIKey is XPOKTIGPLLIZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(11-16-13(2,3)4)15-10-9-14(17-5)7-6-8-14/h12,15-16H,6-11H2,1-5H3.
What are the key properties of 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine?
1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[2-(1-methoxycyclobutyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103556578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).