acetic acid;ethane;methanamine;naphthalene

C17H29NO2 — CID 54016607

IUPACacetic acid;ethane;methanamine;naphthalene
SMILESCC.CC.CC(=O)O.CN.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H4O2.2C2H6.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;3*1-2/h1-8H;1H3,(H,3,4);2*1-2H3;2H2,1H3
InChIKeyKWBBVFKLZRZVRI-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.56
Rot. Bonds

About acetic acid;ethane;methanamine;naphthalene

acetic acid;ethane;methanamine;naphthalene (PubChem CID 54016607) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is acetic acid;ethane;methanamine;naphthalene.

Molecular Properties

Compound Nameacetic acid;ethane;methanamine;naphthalene
PubChem CID54016607
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Nameacetic acid;ethane;methanamine;naphthalene
SMILESCC.CC.CC(=O)O.CN.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H4O2.2C2H6.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;3*1-2/h1-8H;1H3,(H,3,4);2*1-2H3;2H2,1H3
InChIKeyKWBBVFKLZRZVRI-UHFFFAOYSA-N
XLogP4.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;methanamine;naphthalene?
The IUPAC name of acetic acid;ethane;methanamine;naphthalene (CID 54016607) is acetic acid;ethane;methanamine;naphthalene.
What is the SMILES notation for acetic acid;ethane;methanamine;naphthalene?
The canonical SMILES for acetic acid;ethane;methanamine;naphthalene is CC.CC.CC(=O)O.CN.c1ccc2ccccc2c1.
What is the InChIKey of acetic acid;ethane;methanamine;naphthalene?
The InChIKey is KWBBVFKLZRZVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C2H4O2.2C2H6.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;3*1-2/h1-8H;1H3,(H,3,4);2*1-2H3;2H2,1H3.
What are the key properties of acetic acid;ethane;methanamine;naphthalene?
acetic acid;ethane;methanamine;naphthalene has a molecular weight of 279.42 g/mol, XLogP of 4.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane;methanamine;naphthalene is sourced from PubChem (CID 54016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).