N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine

C17H36N2O — CID 82744324

IUPACN-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)C1CCOC1C
InChIInChI=1S/C17H36N2O/c1-8-10-17(6,12-18-16(3,4)5)13-19(7)15-9-11-20-14(15)2/h14-15,18H,8-13H2,1-7H3
InChIKeyBGTWTOQWRMFLHB-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds7

About N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine

N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine (PubChem CID 82744324) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine
PubChem CID82744324
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)C1CCOC1C
InChIInChI=1S/C17H36N2O/c1-8-10-17(6,12-18-16(3,4)5)13-19(7)15-9-11-20-14(15)2/h14-15,18H,8-13H2,1-7H3
InChIKeyBGTWTOQWRMFLHB-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,2-dimethyl-N-(2-methyloxolan-3-yl)-N'-propylpropane-1,3-diamine
CID 82744320
N,2,2-triethyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82743290
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82734133
2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 82749198
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125
2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743702
2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
CID 82744273
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 82745922
N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine
CID 63495185
2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82744556
N,N'-dicyclopropyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62262170

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine (CID 82744324) is N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(C)C1CCOC1C.
What is the InChIKey of N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine?
The InChIKey is BGTWTOQWRMFLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-8-10-17(6,12-18-16(3,4)5)13-19(7)15-9-11-20-14(15)2/h14-15,18H,8-13H2,1-7H3.
What are the key properties of N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine?
N-tert-butyl-N',2-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 7 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-dimethyl-N'-(2-methyloxolan-3-yl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 82744324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).