N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine

C12H28N2O — CID 90824619

IUPACN-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine
SMILESCCNC(C)C(C)OCNC(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-7-13-11(5)12(6)15-8-14-10(4)9(2)3/h9-14H,7-8H2,1-6H3
InChIKeyFZTARCWJDUTHQU-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.98
Rot. Bonds8

About N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine

N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine (PubChem CID 90824619) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine
PubChem CID90824619
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine
SMILESCCNC(C)C(C)OCNC(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-7-13-11(5)12(6)15-8-14-10(4)9(2)3/h9-14H,7-8H2,1-6H3
InChIKeyFZTARCWJDUTHQU-UHFFFAOYSA-N
XLogP1.98
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine (CID 90824619) is N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine is CCNC(C)C(C)OCNC(C)C(C)C.
What is the InChIKey of N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine?
The InChIKey is FZTARCWJDUTHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-7-13-11(5)12(6)15-8-14-10(4)9(2)3/h9-14H,7-8H2,1-6H3.
What are the key properties of N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine?
N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)butan-2-yloxymethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 90824619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).