ethane;N-methylnonan-1-amine;2-methylpropanal

C16H37NO — CID 166555582

IUPACethane;N-methylnonan-1-amine;2-methylpropanal
SMILESCC.CC(C)C=O.CCCCCCCCCNC
InChIInChI=1S/C10H23N.C4H8O.C2H6/c1-3-4-5-6-7-8-9-10-11-2;1-4(2)3-5;1-2/h11H,3-10H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyUCZSFOCUWDOMIP-UHFFFAOYSA-N
MW259.48 g/mol
LogP4.82
Rot. Bonds9

About ethane;N-methylnonan-1-amine;2-methylpropanal

ethane;N-methylnonan-1-amine;2-methylpropanal (PubChem CID 166555582) has the molecular formula C16H37NO and a molecular weight of 259.48 g/mol. Its IUPAC name is ethane;N-methylnonan-1-amine;2-methylpropanal.

Molecular Properties

Compound Nameethane;N-methylnonan-1-amine;2-methylpropanal
PubChem CID166555582
Molecular FormulaC16H37NO
Molecular Weight259.48 g/mol
Exact Mass259.29
IUPAC Nameethane;N-methylnonan-1-amine;2-methylpropanal
SMILESCC.CC(C)C=O.CCCCCCCCCNC
InChIInChI=1S/C10H23N.C4H8O.C2H6/c1-3-4-5-6-7-8-9-10-11-2;1-4(2)3-5;1-2/h11H,3-10H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyUCZSFOCUWDOMIP-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 54.82
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

N-methyltriacontan-1-amine
CID 19840895
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
tris(N-methyloctan-1-amine);phosphoric acid;propan-2-ol
CID 175090392
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
tert-butyl formate;ethane;N-methylpentan-1-amine
CID 142042302
N-methyloctan-1-amine;propan-1-ol
CID 88540071
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylnonan-1-amine;2-methylpropanal?
The IUPAC name of ethane;N-methylnonan-1-amine;2-methylpropanal (CID 166555582) is ethane;N-methylnonan-1-amine;2-methylpropanal.
What is the SMILES notation for ethane;N-methylnonan-1-amine;2-methylpropanal?
The canonical SMILES for ethane;N-methylnonan-1-amine;2-methylpropanal is CC.CC(C)C=O.CCCCCCCCCNC.
What is the InChIKey of ethane;N-methylnonan-1-amine;2-methylpropanal?
The InChIKey is UCZSFOCUWDOMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C4H8O.C2H6/c1-3-4-5-6-7-8-9-10-11-2;1-4(2)3-5;1-2/h11H,3-10H2,1-2H3;3-4H,1-2H3;1-2H3.
What are the key properties of ethane;N-methylnonan-1-amine;2-methylpropanal?
ethane;N-methylnonan-1-amine;2-methylpropanal has a molecular weight of 259.48 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylnonan-1-amine;2-methylpropanal is sourced from PubChem (CID 166555582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).