N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine

C14H30N2O — CID 55051396

IUPACN,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCNCC(C)(CC)CN(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-5-14(3,11-15-6-2)12-16(4)13-7-9-17-10-8-13/h13,15H,5-12H2,1-4H3
InChIKeyCEDRBKAEWKCVJX-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine

N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 55051396) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID55051396
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCNCC(C)(CC)CN(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-5-14(3,11-15-6-2)12-16(4)13-7-9-17-10-8-13/h13,15H,5-12H2,1-4H3
InChIKeyCEDRBKAEWKCVJX-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 55051396) is N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine is CCNCC(C)(CC)CN(C)C1CCOCC1.
What is the InChIKey of N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is CEDRBKAEWKCVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-14(3,11-15-6-2)12-16(4)13-7-9-17-10-8-13/h13,15H,5-12H2,1-4H3.
What are the key properties of N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 55051396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).