2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine

C17H36N2O — CID 62261307

IUPAC2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)CC1CCCO1
InChIInChI=1S/C17H36N2O/c1-6-17(7-2,13-18-11-15(3)4)14-19(5)12-16-9-8-10-20-16/h15-16,18H,6-14H2,1-5H3
InChIKeyMZRRTLPTFAGBJW-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds10

About 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine

2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine (PubChem CID 62261307) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
PubChem CID62261307
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)CC1CCCO1
InChIInChI=1S/C17H36N2O/c1-6-17(7-2,13-18-11-15(3)4)14-19(5)12-16-9-8-10-20-16/h15-16,18H,6-14H2,1-5H3
InChIKeyMZRRTLPTFAGBJW-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024
N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257932
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62430661
N-ethyl-N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62260614
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62257104
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
CID 79377983
N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713223
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine (CID 62261307) is 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine is CCC(CC)(CNCC(C)C)CN(C)CC1CCCO1.
What is the InChIKey of 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is MZRRTLPTFAGBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-17(7-2,13-18-11-15(3)4)14-19(5)12-16-9-8-10-20-16/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine?
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62261307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).