2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine

C15H32N2O — CID 107136565

IUPAC2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(C1CCCOC1)C(C)(CC)N(C)C
InChIInChI=1S/C15H32N2O/c1-6-10-16-14(13-9-8-11-18-12-13)15(3,7-2)17(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyTZVIHYLTPZSXCI-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine

2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine (PubChem CID 107136565) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
PubChem CID107136565
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(C1CCCOC1)C(C)(CC)N(C)C
InChIInChI=1S/C15H32N2O/c1-6-10-16-14(13-9-8-11-18-12-13)15(3,7-2)17(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyTZVIHYLTPZSXCI-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063170
2-methyl-1-(oxan-3-yl)-2-piperidin-1-yl-N-propylpropan-1-amine
CID 107136554
2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
CID 115856711
1-N-ethyl-2-N,2-N,2-trimethyl-1-(oxan-4-yl)butane-1,2-diamine
CID 79063154
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 79051831
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine
CID 107136596
N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 65331659

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine (CID 107136565) is 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine is CCCNC(C1CCCOC1)C(C)(CC)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine?
The InChIKey is TZVIHYLTPZSXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-10-16-14(13-9-8-11-18-12-13)15(3,7-2)17(4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine?
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 107136565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).