4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine

C13H26N2O2 — CID 65378394

IUPAC4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
SMILESCC1(C)CC(CN)(NCC2CCCO2)CCO1
InChIInChI=1S/C13H26N2O2/c1-12(2)9-13(10-14,5-7-17-12)15-8-11-4-3-6-16-11/h11,15H,3-10,14H2,1-2H3
InChIKeyZIXVKVLDUJHZLA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds4

About 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine

4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine (PubChem CID 65378394) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
PubChem CID65378394
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
SMILESCC1(C)CC(CN)(NCC2CCCO2)CCO1
InChIInChI=1S/C13H26N2O2/c1-12(2)9-13(10-14,5-7-17-12)15-8-11-4-3-6-16-11/h11,15H,3-10,14H2,1-2H3
InChIKeyZIXVKVLDUJHZLA-UHFFFAOYSA-N
XLogP1.04
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine (CID 65378394) is 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine is CC1(C)CC(CN)(NCC2CCCO2)CCO1.
What is the InChIKey of 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The InChIKey is ZIXVKVLDUJHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2)9-13(10-14,5-7-17-12)15-8-11-4-3-6-16-11/h11,15H,3-10,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine has a molecular weight of 242.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 65378394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).