N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine

C12H26N2O — CID 62256951

IUPACN',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCN(CC1CCCCO1)CC(C)(C)CN
InChIInChI=1S/C12H26N2O/c1-12(2,9-13)10-14(3)8-11-6-4-5-7-15-11/h11H,4-10,13H2,1-3H3
InChIKeyAZBNJMXNZYUBMW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine

N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 62256951) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID62256951
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCN(CC1CCCCO1)CC(C)(C)CN
InChIInChI=1S/C12H26N2O/c1-12(2,9-13)10-14(3)8-11-6-4-5-7-15-11/h11H,4-10,13H2,1-3H3
InChIKeyAZBNJMXNZYUBMW-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 62256951) is N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is CN(CC1CCCCO1)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is AZBNJMXNZYUBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,9-13)10-14(3)8-11-6-4-5-7-15-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62256951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).