N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine

C14H30N2O — CID 103339345

IUPACN'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine
SMILESC=CCN(CCCC(C)(C)CCN)CCOC
InChIInChI=1S/C14H30N2O/c1-5-10-16(12-13-17-4)11-6-7-14(2,3)8-9-15/h5H,1,6-13,15H2,2-4H3
InChIKeyMIFPTKUTFWFHEV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.28
Rot. Bonds11

About N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine

N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine (PubChem CID 103339345) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine
PubChem CID103339345
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine
SMILESC=CCN(CCCC(C)(C)CCN)CCOC
InChIInChI=1S/C14H30N2O/c1-5-10-16(12-13-17-4)11-6-7-14(2,3)8-9-15/h5H,1,6-13,15H2,2-4H3
InChIKeyMIFPTKUTFWFHEV-UHFFFAOYSA-N
XLogP2.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
CID 103339366
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
N'-(2-methoxyethyl)-N-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 103339315
N',N'-bis(2-methoxyethyl)-2,2-dimethylhexane-1,6-diamine
CID 106707937
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
N,N'-bis(2-methoxyethyl)-N'-prop-2-enylethane-1,2-diamine
CID 103339442
N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339375
1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339269
2-cyclopropyl-1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339370
N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine
CID 65296234
N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65296059
3,3-dimethyldec-9-en-1-amine
CID 107010664

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine?
The IUPAC name of N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine (CID 103339345) is N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine is C=CCN(CCCC(C)(C)CCN)CCOC.
What is the InChIKey of N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine?
The InChIKey is MIFPTKUTFWFHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-10-16(12-13-17-4)11-6-7-14(2,3)8-9-15/h5H,1,6-13,15H2,2-4H3.
What are the key properties of N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine?
N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-3,3-dimethyl-N'-prop-2-enylhexane-1,6-diamine is sourced from PubChem (CID 103339345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).