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

C11H24N2O — CID 61431413

IUPACN',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CCCCO1
InChIInChI=1S/C11H24N2O/c1-10(7-12)8-13(2)9-11-5-3-4-6-14-11/h10-11H,3-9,12H2,1-2H3
InChIKeyIPFGMKHVXXKVDI-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds5

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

N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 61431413) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID61431413
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CCCCO1
InChIInChI=1S/C11H24N2O/c1-10(7-12)8-13(2)9-11-5-3-4-6-14-11/h10-11H,3-9,12H2,1-2H3
InChIKeyIPFGMKHVXXKVDI-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 61431413) is N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is CC(CN)CN(C)CC1CCCCO1.
What is the InChIKey of N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is IPFGMKHVXXKVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(7-12)8-13(2)9-11-5-3-4-6-14-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 61431413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).