1-(ethylamino)heptyl hydrogen carbonate

C10H21NO3 — CID 88667707

IUPAC1-(ethylamino)heptyl hydrogen carbonate
SMILESCCCCCCC(NCC)OC(=O)O
InChIInChI=1S/C10H21NO3/c1-3-5-6-7-8-9(11-4-2)14-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyMZHGJJZHZABCGW-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.59
Rot. Bonds8

About 1-(ethylamino)heptyl hydrogen carbonate

1-(ethylamino)heptyl hydrogen carbonate (PubChem CID 88667707) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(ethylamino)heptyl hydrogen carbonate.

Molecular Properties

Compound Name1-(ethylamino)heptyl hydrogen carbonate
PubChem CID88667707
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-(ethylamino)heptyl hydrogen carbonate
SMILESCCCCCCC(NCC)OC(=O)O
InChIInChI=1S/C10H21NO3/c1-3-5-6-7-8-9(11-4-2)14-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyMZHGJJZHZABCGW-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
icosan-10-yl hydrogen carbonate
CID 151448549
tricosan-7-yl hydrogen carbonate
CID 87300503
heptadecan-2-yl hydrogen carbonate
CID 87300493
1-decoxy-N-ethylundecan-1-amine
CID 172700916
nonadecan-4-yl hydrogen carbonate
CID 87300318
henicosan-3-yl hydrogen carbonate
CID 87300438
1-hydroxypentadecan-3-yl hydrogen carbonate
CID 118165795
24-bromotetracosan-9-yl hydrogen carbonate
CID 172800180
1-ethoxydecan-2-yl hydrogen carbonate
CID 139923221

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)heptyl hydrogen carbonate?
The IUPAC name of 1-(ethylamino)heptyl hydrogen carbonate (CID 88667707) is 1-(ethylamino)heptyl hydrogen carbonate.
What is the SMILES notation for 1-(ethylamino)heptyl hydrogen carbonate?
The canonical SMILES for 1-(ethylamino)heptyl hydrogen carbonate is CCCCCCC(NCC)OC(=O)O.
What is the InChIKey of 1-(ethylamino)heptyl hydrogen carbonate?
The InChIKey is MZHGJJZHZABCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-5-6-7-8-9(11-4-2)14-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 1-(ethylamino)heptyl hydrogen carbonate?
1-(ethylamino)heptyl hydrogen carbonate has a molecular weight of 203.28 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)heptyl hydrogen carbonate is sourced from PubChem (CID 88667707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).