1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine

C19H38N2O2 — CID 137395201

IUPAC1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine
SMILESCC(CC1CC(CN(C)C(C)C)CCO1)NCC1CCOCC1
InChIInChI=1S/C19H38N2O2/c1-15(2)21(4)14-18-7-10-23-19(12-18)11-16(3)20-13-17-5-8-22-9-6-17/h15-20H,5-14H2,1-4H3
InChIKeyOSPWDBZEKYSSGA-UHFFFAOYSA-N
MW326.53 g/mol
LogP2.92
Rot. Bonds8

About 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine

1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine (PubChem CID 137395201) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine
PubChem CID137395201
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine
SMILESCC(CC1CC(CN(C)C(C)C)CCO1)NCC1CCOCC1
InChIInChI=1S/C19H38N2O2/c1-15(2)21(4)14-18-7-10-23-19(12-18)11-16(3)20-13-17-5-8-22-9-6-17/h15-20H,5-14H2,1-4H3
InChIKeyOSPWDBZEKYSSGA-UHFFFAOYSA-N
XLogP2.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine (CID 137395201) is 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine is CC(CC1CC(CN(C)C(C)C)CCO1)NCC1CCOCC1.
What is the InChIKey of 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine?
The InChIKey is OSPWDBZEKYSSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-15(2)21(4)14-18-7-10-23-19(12-18)11-16(3)20-13-17-5-8-22-9-6-17/h15-20H,5-14H2,1-4H3.
What are the key properties of 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine?
1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine has a molecular weight of 326.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(propan-2-yl)amino]methyl]oxan-2-yl]-N-(oxan-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 137395201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).