4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

C17H34N2O — CID 79934179

IUPAC4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCCN(CC1CC1)CC1C(NC)C(C)(C)OC1(C)C
InChIInChI=1S/C17H34N2O/c1-7-10-19(11-13-8-9-13)12-14-15(18-6)17(4,5)20-16(14,2)3/h13-15,18H,7-12H2,1-6H3
InChIKeyVMUCXJOZRSXKFG-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds7

About 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79934179) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79934179
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCCN(CC1CC1)CC1C(NC)C(C)(C)OC1(C)C
InChIInChI=1S/C17H34N2O/c1-7-10-19(11-13-8-9-13)12-14-15(18-6)17(4,5)20-16(14,2)3/h13-15,18H,7-12H2,1-6H3
InChIKeyVMUCXJOZRSXKFG-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropylmethyl(ethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79929292
N,2,2,5,5-pentamethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 79912771
4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79934630
N,2,2,5,5-pentamethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-amine
CID 79929044
4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79913626
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine
CID 79913020
4-[[2-methoxyethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79934089
N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine
CID 79933572
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
2-[ethyl-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]amino]ethanol
CID 79933221
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79934179) is 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is CCCN(CC1CC1)CC1C(NC)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is VMUCXJOZRSXKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-10-19(11-13-8-9-13)12-14-15(18-6)17(4,5)20-16(14,2)3/h13-15,18H,7-12H2,1-6H3.
What are the key properties of 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(propyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79934179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).