1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine

C16H34N2O — CID 79092648

IUPAC1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-4-10-17-16(7-11-18(5-2)6-3)14-15-8-12-19-13-9-15/h15-17H,4-14H2,1-3H3
InChIKeyVVWQCWGDVQYKCK-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds10

About 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine

1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine (PubChem CID 79092648) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
PubChem CID79092648
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-4-10-17-16(7-11-18(5-2)6-3)14-15-8-12-19-13-9-15/h15-17H,4-14H2,1-3H3
InChIKeyVVWQCWGDVQYKCK-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
1-methylsulfonyl-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55093714
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
2-[2-(diethylamino)ethylamino]-2-(oxan-4-yl)ethanol
CID 62392141
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine (CID 79092648) is 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine is CCCNC(CCN(CC)CC)CC1CCOCC1.
What is the InChIKey of 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine?
The InChIKey is VVWQCWGDVQYKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-10-17-16(7-11-18(5-2)6-3)14-15-8-12-19-13-9-15/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine?
1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79092648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).