carbonic acid;N,N-dimethyldecan-1-amine

C13H29NO3 — CID 174565539

IUPACcarbonic acid;N,N-dimethyldecan-1-amine
SMILESCCCCCCCCCCN(C)C.O=C(O)O
InChIInChI=1S/C12H27N.CH2O3/c1-4-5-6-7-8-9-10-11-12-13(2)3;2-1(3)4/h4-12H2,1-3H3;(H2,2,3,4)
InChIKeyAJMSKIVUTAGBBS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.91
Rot. Bonds9

About carbonic acid;N,N-dimethyldecan-1-amine

carbonic acid;N,N-dimethyldecan-1-amine (PubChem CID 174565539) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is carbonic acid;N,N-dimethyldecan-1-amine.

Molecular Properties

Compound Namecarbonic acid;N,N-dimethyldecan-1-amine
PubChem CID174565539
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Namecarbonic acid;N,N-dimethyldecan-1-amine
SMILESCCCCCCCCCCN(C)C.O=C(O)O
InChIInChI=1S/C12H27N.CH2O3/c1-4-5-6-7-8-9-10-11-12-13(2)3;2-1(3)4/h4-12H2,1-3H3;(H2,2,3,4)
InChIKeyAJMSKIVUTAGBBS-UHFFFAOYSA-N
XLogP3.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87839414
CID 87839414
N,N-dimethyloctadecan-1-amine;propanoic acid
CID 173352619
N,N-dimethyldodecan-1-amine;propanoic acid
CID 21226472
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
2-chloroacetic acid;N,N-dimethyldodecan-1-amine
CID 71300539
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
acetic acid;N,N-dimethyldodecan-1-amine;guanidine
CID 174976714
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N,N-dimethyldecan-1-amine?
The IUPAC name of carbonic acid;N,N-dimethyldecan-1-amine (CID 174565539) is carbonic acid;N,N-dimethyldecan-1-amine.
What is the SMILES notation for carbonic acid;N,N-dimethyldecan-1-amine?
The canonical SMILES for carbonic acid;N,N-dimethyldecan-1-amine is CCCCCCCCCCN(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;N,N-dimethyldecan-1-amine?
The InChIKey is AJMSKIVUTAGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.CH2O3/c1-4-5-6-7-8-9-10-11-12-13(2)3;2-1(3)4/h4-12H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;N,N-dimethyldecan-1-amine?
carbonic acid;N,N-dimethyldecan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N,N-dimethyldecan-1-amine is sourced from PubChem (CID 174565539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).