N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine

C13H27NO5 — CID 12820576

IUPACN-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
SMILESCCNCC1COCCOCCOCCOCCO1
InChIInChI=1S/C13H27NO5/c1-2-14-11-13-12-18-8-7-16-4-3-15-5-6-17-9-10-19-13/h13-14H,2-12H2,1H3
InChIKeyXRJWKTORYQKENU-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.06
Rot. Bonds3

About N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine

N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine (PubChem CID 12820576) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
PubChem CID12820576
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC NameN-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
SMILESCCNCC1COCCOCCOCCOCCO1
InChIInChI=1S/C13H27NO5/c1-2-14-11-13-12-18-8-7-16-4-3-15-5-6-17-9-10-19-13/h13-14H,2-12H2,1H3
InChIKeyXRJWKTORYQKENU-UHFFFAOYSA-N
XLogP0.06
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-[[9-[(hexylamino)methyl]-1,4,7,10,13-pentaoxacyclopentadec-2-yl]methyl]hexan-1-amine
CID 12838862
N-(oxetan-2-ylmethyl)ethanamine
CID 89405664
N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine
CID 80695502
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate
CID 61025111
2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61483218
N-(1,4-dioxan-2-ylmethyl)-2-methylsulfonylethanamine
CID 61023583
N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide
CID 61063379
ethane;2-ethyl-1,4-dioxane
CID 170734415
6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
CID 107703242
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)carbamodithioate
CID 58922130

Frequently Asked Questions

What is the IUPAC name of N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine?
The IUPAC name of N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine (CID 12820576) is N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine?
The canonical SMILES for N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine is CCNCC1COCCOCCOCCOCCO1.
What is the InChIKey of N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine?
The InChIKey is XRJWKTORYQKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-2-14-11-13-12-18-8-7-16-4-3-15-5-6-17-9-10-19-13/h13-14H,2-12H2,1H3.
What are the key properties of N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine?
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine has a molecular weight of 277.36 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine is sourced from PubChem (CID 12820576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).