1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine

C14H30N2O — CID 55226448

IUPAC1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine
SMILESCN(CCC(N)C(C)(C)C)CC1CCCOC1
InChIInChI=1S/C14H30N2O/c1-14(2,3)13(15)7-8-16(4)10-12-6-5-9-17-11-12/h12-13H,5-11,15H2,1-4H3
InChIKeyUNGIPABOFJEKAI-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds5

About 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine

1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine (PubChem CID 55226448) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine
PubChem CID55226448
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine
SMILESCN(CCC(N)C(C)(C)C)CC1CCCOC1
InChIInChI=1S/C14H30N2O/c1-14(2,3)13(15)7-8-16(4)10-12-6-5-9-17-11-12/h12-13H,5-11,15H2,1-4H3
InChIKeyUNGIPABOFJEKAI-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine?
The IUPAC name of 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine (CID 55226448) is 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine is CN(CCC(N)C(C)(C)C)CC1CCCOC1.
What is the InChIKey of 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine?
The InChIKey is UNGIPABOFJEKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)13(15)7-8-16(4)10-12-6-5-9-17-11-12/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine?
1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4,4-trimethyl-1-N-(oxan-3-ylmethyl)pentane-1,3-diamine is sourced from PubChem (CID 55226448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).