carbonic acid;N,N-dimethyl-N'-octylethanimidamide

C13H28N2O3 — CID 173151477

IUPACcarbonic acid;N,N-dimethyl-N'-octylethanimidamide
SMILESCCCCCCCC/N=C(\C)N(C)C.O=C(O)O
InChIInChI=1S/C12H26N2.CH2O3/c1-5-6-7-8-9-10-11-13-12(2)14(3)4;2-1(3)4/h5-11H2,1-4H3;(H2,2,3,4)/b13-12+;
InChIKeyVJONAKZULQWOAG-UEIGIMKUSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds7

About carbonic acid;N,N-dimethyl-N'-octylethanimidamide

carbonic acid;N,N-dimethyl-N'-octylethanimidamide (PubChem CID 173151477) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is carbonic acid;N,N-dimethyl-N'-octylethanimidamide.

Molecular Properties

Compound Namecarbonic acid;N,N-dimethyl-N'-octylethanimidamide
PubChem CID173151477
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Namecarbonic acid;N,N-dimethyl-N'-octylethanimidamide
SMILESCCCCCCCC/N=C(\C)N(C)C.O=C(O)O
InChIInChI=1S/C12H26N2.CH2O3/c1-5-6-7-8-9-10-11-13-12(2)14(3)4;2-1(3)4/h5-11H2,1-4H3;(H2,2,3,4)/b13-12+;
InChIKeyVJONAKZULQWOAG-UEIGIMKUSA-N
XLogP3.55
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;N'-hexyl-N,N-dimethylethanimidamide
CID 173151515
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
2-dodecyliminopropanedioic acid
CID 10290398
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180
oxalic acid;2-tetradecylguanidine
CID 88685065
2-[(N'-dodecylcarbamimidoyl)-methylamino]acetic acid
CID 87453757
carbonic acid;bis(hexane)
CID 173367789
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
CID 136598188
N'-decyl-N,N-dimethylbenzenecarboximidamide
CID 525622

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N,N-dimethyl-N'-octylethanimidamide?
The IUPAC name of carbonic acid;N,N-dimethyl-N'-octylethanimidamide (CID 173151477) is carbonic acid;N,N-dimethyl-N'-octylethanimidamide.
What is the SMILES notation for carbonic acid;N,N-dimethyl-N'-octylethanimidamide?
The canonical SMILES for carbonic acid;N,N-dimethyl-N'-octylethanimidamide is CCCCCCCC/N=C(\C)N(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;N,N-dimethyl-N'-octylethanimidamide?
The InChIKey is VJONAKZULQWOAG-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H26N2.CH2O3/c1-5-6-7-8-9-10-11-13-12(2)14(3)4;2-1(3)4/h5-11H2,1-4H3;(H2,2,3,4)/b13-12+;.
What are the key properties of carbonic acid;N,N-dimethyl-N'-octylethanimidamide?
carbonic acid;N,N-dimethyl-N'-octylethanimidamide has a molecular weight of 260.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N,N-dimethyl-N'-octylethanimidamide is sourced from PubChem (CID 173151477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).