4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane

C30H65NO6 — CID 159305061

IUPAC4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
SMILESCCCCCCCCC(CCCN)C(C)(OC)OC.CCCCCCCCC(OC)C(OC)(OC)OC
InChIInChI=1S/C16H35NO2.C14H30O4/c1-5-6-7-8-9-10-12-15(13-11-14-17)16(2,18-3)19-4;1-6-7-8-9-10-11-12-13(15-2)14(16-3,17-4)18-5/h15H,5-14,17H2,1-4H3;13H,6-12H2,1-5H3
InChIKeyLBUVGYHLJSNSDR-UHFFFAOYSA-N
MW535.85 g/mol
LogP7.45
Rot. Bonds25

About 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane

4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane (PubChem CID 159305061) has the molecular formula C30H65NO6 and a molecular weight of 535.85 g/mol. Its IUPAC name is 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane.

Molecular Properties

Compound Name4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
PubChem CID159305061
Molecular FormulaC30H65NO6
Molecular Weight535.85 g/mol
Exact Mass535.48
IUPAC Name4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
SMILESCCCCCCCCC(CCCN)C(C)(OC)OC.CCCCCCCCC(OC)C(OC)(OC)OC
InChIInChI=1S/C16H35NO2.C14H30O4/c1-5-6-7-8-9-10-12-15(13-11-14-17)16(2,18-3)19-4;1-6-7-8-9-10-11-12-13(15-2)14(16-3,17-4)18-5/h15H,5-14,17H2,1-4H3;13H,6-12H2,1-5H3
InChIKeyLBUVGYHLJSNSDR-UHFFFAOYSA-N
XLogP7.45
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.85
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
5-(1,1-dimethoxyethyl)nonane
CID 139962185
6-(trimethoxymethyl)tridecane
CID 151806345
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
3-(trimethoxymethyl)undecane
CID 150552650
4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
CID 151238395
N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
CID 150981687
azane;4-(2-chloropropan-2-yl)octadecan-1-amine
CID 174713785
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane?
The IUPAC name of 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane (CID 159305061) is 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane.
What is the SMILES notation for 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane?
The canonical SMILES for 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane is CCCCCCCCC(CCCN)C(C)(OC)OC.CCCCCCCCC(OC)C(OC)(OC)OC.
What is the InChIKey of 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane?
The InChIKey is LBUVGYHLJSNSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2.C14H30O4/c1-5-6-7-8-9-10-12-15(13-11-14-17)16(2,18-3)19-4;1-6-7-8-9-10-11-12-13(15-2)14(16-3,17-4)18-5/h15H,5-14,17H2,1-4H3;13H,6-12H2,1-5H3.
What are the key properties of 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane?
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane has a molecular weight of 535.85 g/mol, XLogP of 7.45, 25 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane is sourced from PubChem (CID 159305061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).