N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine

C17H36N2O — CID 62257104

IUPACN,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(CC)CC1CCCO1
InChIInChI=1S/C17H36N2O/c1-5-11-18-14-17(6-2,7-3)15-19(8-4)13-16-10-9-12-20-16/h16,18H,5-15H2,1-4H3
InChIKeyKXEDHXHNZXRJNK-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds11

About N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine

N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine (PubChem CID 62257104) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
PubChem CID62257104
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(CC)CC1CCCO1
InChIInChI=1S/C17H36N2O/c1-5-11-18-14-17(6-2,7-3)15-19(8-4)13-16-10-9-12-20-16/h16,18H,5-15H2,1-4H3
InChIKeyKXEDHXHNZXRJNK-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826914
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62261307
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
1-cyclopropyl-N'-ethyl-N'-(oxolan-2-ylmethyl)-N-propylethane-1,2-diamine
CID 63914317
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827702
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine (CID 62257104) is N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine is CCCNCC(CC)(CC)CN(CC)CC1CCCO1.
What is the InChIKey of N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is KXEDHXHNZXRJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-11-18-14-17(6-2,7-3)15-19(8-4)13-16-10-9-12-20-16/h16,18H,5-15H2,1-4H3.
What are the key properties of N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62257104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).