N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine

C16H34N2O — CID 63713235

IUPACN-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCN(CC1CCOCC1)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18(6)11-14-7-9-19-10-8-14/h14,17H,7-13H2,1-6H3
InChIKeyFTKRQGFUHZINQN-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds6

About N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine

N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine (PubChem CID 63713235) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
PubChem CID63713235
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCN(CC1CCOCC1)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18(6)11-14-7-9-19-10-8-14/h14,17H,7-13H2,1-6H3
InChIKeyFTKRQGFUHZINQN-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713223
N-tert-butyl-2-cyclopropyl-2-methyl-3-(oxan-4-yl)propan-1-amine
CID 83160445
N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
CID 63713052
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63712871
1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 63705661
2-(bromomethyl)-2-ethyl-N-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 65003847
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63713655
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
CID 138459636

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine (CID 63713235) is N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine is CN(CC1CCOCC1)CC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The InChIKey is FTKRQGFUHZINQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18(6)11-14-7-9-19-10-8-14/h14,17H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63713235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).