ethane;8-(methylamino)octanal

C11H25NO — CID 164864481

IUPACethane;8-(methylamino)octanal
SMILESCC.CNCCCCCCCC=O
InChIInChI=1S/C9H19NO.C2H6/c1-10-8-6-4-2-3-5-7-9-11;1-2/h9-10H,2-8H2,1H3;1-2H3
InChIKeyWXSBXNKIBHFRJM-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.77
Rot. Bonds8

About ethane;8-(methylamino)octanal

ethane;8-(methylamino)octanal (PubChem CID 164864481) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;8-(methylamino)octanal.

Molecular Properties

Compound Nameethane;8-(methylamino)octanal
PubChem CID164864481
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;8-(methylamino)octanal
SMILESCC.CNCCCCCCCC=O
InChIInChI=1S/C9H19NO.C2H6/c1-10-8-6-4-2-3-5-7-9-11;1-2/h9-10H,2-8H2,1H3;1-2H3
InChIKeyWXSBXNKIBHFRJM-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;9-(methylamino)nonanal
CID 164864319
20-(methylamino)icosanal
CID 177224793
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
ethane;N'-ethyl-N-methylpropane-1,3-diamine;9-(propan-2-ylamino)nonanal
CID 168958962
4-aminobenzaldehyde;6-(methylamino)hexanal
CID 145444574
pentadecanedial
CID 22887412
N,5-dimethylhexan-1-amine;18-oxooctadecanoic acid
CID 177324861
N-[3-(methylamino)propyl]formamide
CID 54313593
N-methylpropan-1-amine;pentanal
CID 145316342
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683

Frequently Asked Questions

What is the IUPAC name of ethane;8-(methylamino)octanal?
The IUPAC name of ethane;8-(methylamino)octanal (CID 164864481) is ethane;8-(methylamino)octanal.
What is the SMILES notation for ethane;8-(methylamino)octanal?
The canonical SMILES for ethane;8-(methylamino)octanal is CC.CNCCCCCCCC=O.
What is the InChIKey of ethane;8-(methylamino)octanal?
The InChIKey is WXSBXNKIBHFRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-10-8-6-4-2-3-5-7-9-11;1-2/h9-10H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;8-(methylamino)octanal?
ethane;8-(methylamino)octanal has a molecular weight of 187.33 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(methylamino)octanal is sourced from PubChem (CID 164864481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).