N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

C15H34N2O — CID 79667971

IUPACN'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)CC(C)(C)OC
InChIInChI=1S/C15H34N2O/c1-8-9-17(12-14(3,4)11-16)13(2)10-15(5,6)18-7/h13H,8-12,16H2,1-7H3
InChIKeyFPXHVRAPKGPQSF-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.89
Rot. Bonds9

About N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79667971) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79667971
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC NameN'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)CC(C)(C)OC
InChIInChI=1S/C15H34N2O/c1-8-9-17(12-14(3,4)11-16)13(2)10-15(5,6)18-7/h13H,8-12,16H2,1-7H3
InChIKeyFPXHVRAPKGPQSF-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79667971) is N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C(C)CC(C)(C)OC.
What is the InChIKey of N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is FPXHVRAPKGPQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-8-9-17(12-14(3,4)11-16)13(2)10-15(5,6)18-7/h13H,8-12,16H2,1-7H3.
What are the key properties of N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79667971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).