ethane;9-(methylamino)nonanal

C12H27NO — CID 164864319

IUPACethane;9-(methylamino)nonanal
SMILESCC.CNCCCCCCCCC=O
InChIInChI=1S/C10H21NO.C2H6/c1-11-9-7-5-3-2-4-6-8-10-12;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyHSSAJOYRVBFNHQ-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.16
Rot. Bonds9

About ethane;9-(methylamino)nonanal

ethane;9-(methylamino)nonanal (PubChem CID 164864319) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;9-(methylamino)nonanal.

Molecular Properties

Compound Nameethane;9-(methylamino)nonanal
PubChem CID164864319
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;9-(methylamino)nonanal
SMILESCC.CNCCCCCCCCC=O
InChIInChI=1S/C10H21NO.C2H6/c1-11-9-7-5-3-2-4-6-8-10-12;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyHSSAJOYRVBFNHQ-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.16
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

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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
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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;9-(methylamino)nonanal?
The IUPAC name of ethane;9-(methylamino)nonanal (CID 164864319) is ethane;9-(methylamino)nonanal.
What is the SMILES notation for ethane;9-(methylamino)nonanal?
The canonical SMILES for ethane;9-(methylamino)nonanal is CC.CNCCCCCCCCC=O.
What is the InChIKey of ethane;9-(methylamino)nonanal?
The InChIKey is HSSAJOYRVBFNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-11-9-7-5-3-2-4-6-8-10-12;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;9-(methylamino)nonanal?
ethane;9-(methylamino)nonanal has a molecular weight of 201.35 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(methylamino)nonanal is sourced from PubChem (CID 164864319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).