3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine

C11H26N2O — CID 103033024

IUPAC3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine
SMILESCOC(C)(C)CCN(C)C(C)CCN
InChIInChI=1S/C11H26N2O/c1-10(6-8-12)13(4)9-7-11(2,3)14-5/h10H,6-9,12H2,1-5H3
InChIKeySMCPRYMTFAJHKV-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds7

About 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine

3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine (PubChem CID 103033024) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine
PubChem CID103033024
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine
SMILESCOC(C)(C)CCN(C)C(C)CCN
InChIInChI=1S/C11H26N2O/c1-10(6-8-12)13(4)9-7-11(2,3)14-5/h10H,6-9,12H2,1-5H3
InChIKeySMCPRYMTFAJHKV-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine (CID 103033024) is 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine is COC(C)(C)CCN(C)C(C)CCN.
What is the InChIKey of 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is SMCPRYMTFAJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(6-8-12)13(4)9-7-11(2,3)14-5/h10H,6-9,12H2,1-5H3.
What are the key properties of 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine?
3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 103033024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).