N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine

C18H38N2O — CID 125433376

IUPACN-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1C[C@@H](C(C)C)O[C@@H](C(C)C)C1
InChIInChI=1S/C18H38N2O/c1-7-20(8-2)11-9-10-19-16-12-17(14(3)4)21-18(13-16)15(5)6/h14-19H,7-13H2,1-6H3/t16?,17-,18+
InChIKeyBPDWPZDLLOSKQI-AYHJJNSGSA-N
MW298.51 g/mol
LogP3.54
Rot. Bonds9

About N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine

N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 125433376) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine
PubChem CID125433376
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1C[C@@H](C(C)C)O[C@@H](C(C)C)C1
InChIInChI=1S/C18H38N2O/c1-7-20(8-2)11-9-10-19-16-12-17(14(3)4)21-18(13-16)15(5)6/h14-19H,7-13H2,1-6H3/t16?,17-,18+
InChIKeyBPDWPZDLLOSKQI-AYHJJNSGSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.54
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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Related Compounds

N-[(2R,6R)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 125430986
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N',N'-diethyl-N-(5-methylthiolan-3-yl)propane-1,3-diamine
CID 79941874
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64756068
N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 113352479
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
CID 103930680
N',N'-diethyl-N-[(2S,3S)-2-methyloxolan-3-yl]propane-1,3-diamine
CID 97358031
4-[3-(diethylamino)propylamino]oxolan-3-ol
CID 60896657
5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
CID 107302829

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine (CID 125433376) is N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNC1C[C@@H](C(C)C)O[C@@H](C(C)C)C1.
What is the InChIKey of N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is BPDWPZDLLOSKQI-AYHJJNSGSA-N. The full InChI is InChI=1S/C18H38N2O/c1-7-20(8-2)11-9-10-19-16-12-17(14(3)4)21-18(13-16)15(5)6/h14-19H,7-13H2,1-6H3/t16?,17-,18+.
What are the key properties of N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine?
N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 298.51 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6S)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 125433376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).