2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol

C14H30N2O2 — CID 64789711

IUPAC2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCCOC(C)C1
InChIInChI=1S/C14H30N2O2/c1-5-15-14(4,11-17)9-12(2)16-7-6-8-18-13(3)10-16/h12-13,15,17H,5-11H2,1-4H3
InChIKeyNGQGZZSGRGNBCI-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.24
Rot. Bonds6

About 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol

2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol (PubChem CID 64789711) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol
PubChem CID64789711
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCCOC(C)C1
InChIInChI=1S/C14H30N2O2/c1-5-15-14(4,11-17)9-12(2)16-7-6-8-18-13(3)10-16/h12-13,15,17H,5-11H2,1-4H3
InChIKeyNGQGZZSGRGNBCI-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
CID 64705542
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64790816
2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol
CID 64809388
2-(ethylamino)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64798661
2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 64790693
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanenitrile
CID 64727317
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol
CID 104961364
2-(ethylamino)-4-(3-ethylmorpholin-4-yl)-2-methylpentan-1-ol
CID 64798768
3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine
CID 64708050
3-(2-methyl-1,4-oxazepan-4-yl)butanenitrile
CID 62988698
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 81019358

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol (CID 64789711) is 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol is CCNC(C)(CO)CC(C)N1CCCOC(C)C1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol?
The InChIKey is NGQGZZSGRGNBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-15-14(4,11-17)9-12(2)16-7-6-8-18-13(3)10-16/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol?
2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol is sourced from PubChem (CID 64789711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).