4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine

C16H34N2O — CID 79069373

IUPAC4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(CCC1CCCO1)NC
InChIInChI=1S/C16H34N2O/c1-6-16(4,18(7-2)8-3)15(17-5)12-11-14-10-9-13-19-14/h14-15,17H,6-13H2,1-5H3
InChIKeyHULUOGHWFDCYDE-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.04
Rot. Bonds9

About 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine

4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine (PubChem CID 79069373) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine
PubChem CID79069373
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(CCC1CCCO1)NC
InChIInChI=1S/C16H34N2O/c1-6-16(4,18(7-2)8-3)15(17-5)12-11-14-10-9-13-19-14/h14-15,17H,6-13H2,1-5H3
InChIKeyHULUOGHWFDCYDE-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 79064624
4-(diethylamino)-4-ethyl-1-(oxolan-2-yl)hexan-3-ol
CID 79060808
2-N,2-N,3-N,2-tetramethyl-6-(oxolan-2-yl)hexane-2,3-diamine
CID 79054003
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
[4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-yl]hydrazine
CID 105274041
4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 116726844
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
4-(azepan-1-yl)-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 79050801
1-(3-ethoxycyclobutyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 103168865
N-ethyl-4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-amine
CID 79050892

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine (CID 79069373) is 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine is CCN(CC)C(C)(CC)C(CCC1CCCO1)NC.
What is the InChIKey of 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine?
The InChIKey is HULUOGHWFDCYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-16(4,18(7-2)8-3)15(17-5)12-11-14-10-9-13-19-14/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine?
4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine has a molecular weight of 270.46 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine is sourced from PubChem (CID 79069373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).