2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine

C17H34N2O2 — CID 79914148

IUPAC2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine
SMILESCCCNC1C(CN2CCCOCC2)C(C)(C)OC1(C)C
InChIInChI=1S/C17H34N2O2/c1-6-8-18-15-14(16(2,3)21-17(15,4)5)13-19-9-7-11-20-12-10-19/h14-15,18H,6-13H2,1-5H3
InChIKeyKYUXGMDIDSPTKN-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds5

About 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine

2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine (PubChem CID 79914148) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine
PubChem CID79914148
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine
SMILESCCCNC1C(CN2CCCOCC2)C(C)(C)OC1(C)C
InChIInChI=1S/C17H34N2O2/c1-6-8-18-15-14(16(2,3)21-17(15,4)5)13-19-9-7-11-20-12-10-19/h14-15,18H,6-13H2,1-5H3
InChIKeyKYUXGMDIDSPTKN-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 79913080
2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine
CID 79912448
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
CID 79914809
2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931
N-ethyl-2,2,5,5-tetramethyl-4-[(2-methylmorpholin-4-yl)methyl]oxolan-3-amine
CID 79933538
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]-4-methylpiperidin-4-ol
CID 81097682
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]piperidin-3-ol
CID 79933676
N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
CID 79933879
1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine
CID 62988157
4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
CID 79913336
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
CID 62972825

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine (CID 79914148) is 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine is CCCNC1C(CN2CCCOCC2)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine?
The InChIKey is KYUXGMDIDSPTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-8-18-15-14(16(2,3)21-17(15,4)5)13-19-9-7-11-20-12-10-19/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine?
2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine has a molecular weight of 298.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine is sourced from PubChem (CID 79914148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).