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

C11H24N2O — CID 43403618

IUPACN',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCN(C)CCCNCC1CCCCO1
InChIInChI=1S/C11H24N2O/c1-13(2)8-5-7-12-10-11-6-3-4-9-14-11/h11-12H,3-10H2,1-2H3
InChIKeyWMAANRCRXPALCE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds6

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

N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 43403618) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID43403618
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCN(C)CCCNCC1CCCCO1
InChIInChI=1S/C11H24N2O/c1-13(2)8-5-7-12-10-11-6-3-4-9-14-11/h11-12H,3-10H2,1-2H3
InChIKeyWMAANRCRXPALCE-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine (CID 43403618) is N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine is CN(C)CCCNCC1CCCCO1.
What is the InChIKey of N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is WMAANRCRXPALCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13(2)8-5-7-12-10-11-6-3-4-9-14-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine?
N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 43403618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).