N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine

C14H30N2O — CID 62973356

IUPACN-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine
SMILESCCCC(C)(CNCC)CN1CCCOCC1
InChIInChI=1S/C14H30N2O/c1-4-7-14(3,12-15-5-2)13-16-8-6-10-17-11-9-16/h15H,4-13H2,1-3H3
InChIKeyQQARTRVHFJSHNF-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine

N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine (PubChem CID 62973356) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine
PubChem CID62973356
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine
SMILESCCCC(C)(CNCC)CN1CCCOCC1
InChIInChI=1S/C14H30N2O/c1-4-7-14(3,12-15-5-2)13-16-8-6-10-17-11-9-16/h15H,4-13H2,1-3H3
InChIKeyQQARTRVHFJSHNF-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-diethyl-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 62974610
2-methyl-N-(2-methylpropyl)-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 55142489
2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62369813
1-[2-(ethylaminomethyl)-2-methylpentyl]-4-methylpiperidin-4-ol
CID 81116201
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
CID 62262452
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 107459397
2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
CID 62972933
2,2-dimethyl-N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 62974441
2-methyl-2-(morpholin-4-ylmethyl)pentanal
CID 62276739
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
4-(3-bromo-2,2-dimethylpropyl)-1,4-oxazepane
CID 64997840

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine (CID 62973356) is N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine is CCCC(C)(CNCC)CN1CCCOCC1.
What is the InChIKey of N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine?
The InChIKey is QQARTRVHFJSHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-14(3,12-15-5-2)13-16-8-6-10-17-11-9-16/h15H,4-13H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine?
N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 62973356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).