4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine

C14H28N2O2 — CID 65378175

IUPAC4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(CN)(NCC2CCCO2)CCO1
InChIInChI=1S/C14H28N2O2/c1-11(2)13-8-14(10-15,5-7-18-13)16-9-12-4-3-6-17-12/h11-13,16H,3-10,15H2,1-2H3
InChIKeyQFWYLNFHWQHCAV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.29
Rot. Bonds5

About 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine

4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine (PubChem CID 65378175) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine
PubChem CID65378175
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(CN)(NCC2CCCO2)CCO1
InChIInChI=1S/C14H28N2O2/c1-11(2)13-8-14(10-15,5-7-18-13)16-9-12-4-3-6-17-12/h11-13,16H,3-10,15H2,1-2H3
InChIKeyQFWYLNFHWQHCAV-UHFFFAOYSA-N
XLogP1.29
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine (CID 65378175) is 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine is CC(C)C1CC(CN)(NCC2CCCO2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine?
The InChIKey is QFWYLNFHWQHCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)13-8-14(10-15,5-7-18-13)16-9-12-4-3-6-17-12/h11-13,16H,3-10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine?
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine has a molecular weight of 256.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 65378175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).