ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene

C22H55NO3 — CID 142059392

IUPACethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene
SMILESC.C=CC.C=CCCCCC(CCC)NC.C=O.CC.CC.CO.CO
InChIInChI=1S/C11H23N.C3H6.2C2H6.2CH4O.CH2O.CH4/c1-4-6-7-8-10-11(12-3)9-5-2;1-3-2;5*1-2;/h4,11-12H,1,5-10H2,2-3H3;3H,1H2,2H3;2*1-2H3;2*2H,1H3;1H2;1H4
InChIKeyLMVSMDHTZZGOFL-UHFFFAOYSA-N
MW381.69 g/mol
LogP6.03
Rot. Bonds8

About ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene

ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene (PubChem CID 142059392) has the molecular formula C22H55NO3 and a molecular weight of 381.69 g/mol. Its IUPAC name is ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene.

Molecular Properties

Compound Nameethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene
PubChem CID142059392
Molecular FormulaC22H55NO3
Molecular Weight381.69 g/mol
Exact Mass381.42
IUPAC Nameethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene
SMILESC.C=CC.C=CCCCCC(CCC)NC.C=O.CC.CC.CO.CO
InChIInChI=1S/C11H23N.C3H6.2C2H6.2CH4O.CH2O.CH4/c1-4-6-7-8-10-11(12-3)9-5-2;1-3-2;5*1-2;/h4,11-12H,1,5-10H2,2-3H3;3H,1H2,2H3;2*1-2H3;2*2H,1H3;1H2;1H4
InChIKeyLMVSMDHTZZGOFL-UHFFFAOYSA-N
XLogP6.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methylpentadec-1-en-8-amine
CID 107011425
N-methylundecan-4-amine
CID 60996531
1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
CID 107011903
1-ethoxy-N-methylnon-8-en-4-amine
CID 105153065
N-methyloct-7-en-2-amine
CID 64502847
9-propyldodec-1-ene
CID 174048054
N-methyl-1-(thian-4-yl)non-8-en-2-amine
CID 107011659
5-(methylamino)octanoic acid
CID 116953071
13-methylhexadec-1-ene
CID 71373615
7-propylundec-1-ene
CID 174048285
4-methoxy-N-methyldodec-11-en-5-amine
CID 107009691
2-propyldodec-11-enal
CID 142653916

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene?
The IUPAC name of ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene (CID 142059392) is ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene.
What is the SMILES notation for ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene?
The canonical SMILES for ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene is C.C=CC.C=CCCCCC(CCC)NC.C=O.CC.CC.CO.CO.
What is the InChIKey of ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene?
The InChIKey is LMVSMDHTZZGOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C3H6.2C2H6.2CH4O.CH2O.CH4/c1-4-6-7-8-10-11(12-3)9-5-2;1-3-2;5*1-2;/h4,11-12H,1,5-10H2,2-3H3;3H,1H2,2H3;2*1-2H3;2*2H,1H3;1H2;1H4.
What are the key properties of ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene?
ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene has a molecular weight of 381.69 g/mol, XLogP of 6.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene is sourced from PubChem (CID 142059392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).