N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine

C12H26N2O — CID 82835493

IUPACN-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)C1CCCO1
InChIInChI=1S/C12H26N2O/c1-4-6-10(2)14(3)11(9-13)12-7-5-8-15-12/h10-12H,4-9,13H2,1-3H3
InChIKeyHMIAUNJTCUQOCR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine

N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine (PubChem CID 82835493) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine
PubChem CID82835493
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)C1CCCO1
InChIInChI=1S/C12H26N2O/c1-4-6-10(2)14(3)11(9-13)12-7-5-8-15-12/h10-12H,4-9,13H2,1-3H3
InChIKeyHMIAUNJTCUQOCR-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine (CID 82835493) is N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine is CCCC(C)N(C)C(CN)C1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is HMIAUNJTCUQOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-10(2)14(3)11(9-13)12-7-5-8-15-12/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine?
N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82835493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).