2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine

C14H30N2O — CID 82734453

IUPAC2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)C1CCOC1C
InChIInChI=1S/C14H30N2O/c1-5-7-9-14(6-2,11-15)16(4)13-8-10-17-12(13)3/h12-13H,5-11,15H2,1-4H3
InChIKeyDZJHCBDRLGHNEJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds7

About 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine

2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine (PubChem CID 82734453) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
PubChem CID82734453
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
SMILESCCCCC(CC)(CN)N(C)C1CCOC1C
InChIInChI=1S/C14H30N2O/c1-5-7-9-14(6-2,11-15)16(4)13-8-10-17-12(13)3/h12-13H,5-11,15H2,1-4H3
InChIKeyDZJHCBDRLGHNEJ-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82735147
2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82734224
2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
CID 63947157
2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
CID 82734351
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125
butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate
CID 82739857
2-N-cyclopropyl-2-ethyl-2-N-(2-methoxyethyl)hexane-1,2-diamine
CID 63947357
2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine
CID 63945751
N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
CID 103563096
2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid
CID 82731738

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine (CID 82734453) is 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine is CCCCC(CC)(CN)N(C)C1CCOC1C.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The InChIKey is DZJHCBDRLGHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-7-9-14(6-2,11-15)16(4)13-8-10-17-12(13)3/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine is sourced from PubChem (CID 82734453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).