1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine

C13H30N2O — CID 103019944

IUPAC1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
SMILESCOC(C)(C)CCNC(C)CNC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(10-15-12(2,3)4)14-9-8-13(5,6)16-7/h11,14-15H,8-10H2,1-7H3
InChIKeyDYCWVRZYJRTLMT-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.17
Rot. Bonds7

About 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine

1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine (PubChem CID 103019944) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
PubChem CID103019944
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
SMILESCOC(C)(C)CCNC(C)CNC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(10-15-12(2,3)4)14-9-8-13(5,6)16-7/h11,14-15H,8-10H2,1-7H3
InChIKeyDYCWVRZYJRTLMT-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine (CID 103019944) is 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine is COC(C)(C)CCNC(C)CNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine?
The InChIKey is DYCWVRZYJRTLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(10-15-12(2,3)4)14-9-8-13(5,6)16-7/h11,14-15H,8-10H2,1-7H3.
What are the key properties of 1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine?
1-N-tert-butyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.17, 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-(3-methoxy-3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 103019944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).