1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine

C15H32N2O — CID 114218748

IUPAC1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine
SMILESCCC1CN(CCC(NC)C(C)(C)C)CCCO1
InChIInChI=1S/C15H32N2O/c1-6-13-12-17(9-7-11-18-13)10-8-14(16-5)15(2,3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyXSKRZKVRFNPNPA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds5

About 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine

1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine (PubChem CID 114218748) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine
PubChem CID114218748
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine
SMILESCCC1CN(CCC(NC)C(C)(C)C)CCCO1
InChIInChI=1S/C15H32N2O/c1-6-13-12-17(9-7-11-18-13)10-8-14(16-5)15(2,3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyXSKRZKVRFNPNPA-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 130485470
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63028463
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanamide
CID 63028456
1-[4,4-dimethyl-3-(methylamino)pentyl]piperidin-4-ol
CID 62625302
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60850473
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N,4,4-trimethylpentan-3-amine
CID 64583577
3-(2-ethyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)propanenitrile
CID 114218691

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine (CID 114218748) is 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine is CCC1CN(CCC(NC)C(C)(C)C)CCCO1.
What is the InChIKey of 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is XSKRZKVRFNPNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-13-12-17(9-7-11-18-13)10-8-14(16-5)15(2,3)4/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine?
1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 114218748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).