12-ethoxy-2,12-dimethyltridecan-1-amine

C17H37NO — CID 150200796

IUPAC12-ethoxy-2,12-dimethyltridecan-1-amine
SMILESCCOC(C)(C)CCCCCCCCCC(C)CN
InChIInChI=1S/C17H37NO/c1-5-19-17(3,4)14-12-10-8-6-7-9-11-13-16(2)15-18/h16H,5-15,18H2,1-4H3
InChIKeyFPLATHOQUHGUHH-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.91
Rot. Bonds13

About 12-ethoxy-2,12-dimethyltridecan-1-amine

12-ethoxy-2,12-dimethyltridecan-1-amine (PubChem CID 150200796) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 12-ethoxy-2,12-dimethyltridecan-1-amine.

Molecular Properties

Compound Name12-ethoxy-2,12-dimethyltridecan-1-amine
PubChem CID150200796
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name12-ethoxy-2,12-dimethyltridecan-1-amine
SMILESCCOC(C)(C)CCCCCCCCCC(C)CN
InChIInChI=1S/C17H37NO/c1-5-19-17(3,4)14-12-10-8-6-7-9-11-13-16(2)15-18/h16H,5-15,18H2,1-4H3
InChIKeyFPLATHOQUHGUHH-UHFFFAOYSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-2-methylundecane
CID 150956805
2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
2-methyloctadecan-1-amine
CID 56980469
(3-ethoxy-3-methylbutyl)hydrazine
CID 174243027
8-amino-7-methyloctan-1-ol
CID 139899445
10-amino-9-methyldecane-1-thiol
CID 87559449
7-ethoxy-2,3,7-trimethyloctanal
CID 59560846
3-methyl-3-(3-methylpentoxy)butan-1-amine
CID 89007846
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
6-methoxy-2-methylhexan-1-amine
CID 64666005
2,2,13-trimethylpentadecane
CID 150334228

Frequently Asked Questions

What is the IUPAC name of 12-ethoxy-2,12-dimethyltridecan-1-amine?
The IUPAC name of 12-ethoxy-2,12-dimethyltridecan-1-amine (CID 150200796) is 12-ethoxy-2,12-dimethyltridecan-1-amine.
What is the SMILES notation for 12-ethoxy-2,12-dimethyltridecan-1-amine?
The canonical SMILES for 12-ethoxy-2,12-dimethyltridecan-1-amine is CCOC(C)(C)CCCCCCCCCC(C)CN.
What is the InChIKey of 12-ethoxy-2,12-dimethyltridecan-1-amine?
The InChIKey is FPLATHOQUHGUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-5-19-17(3,4)14-12-10-8-6-7-9-11-13-16(2)15-18/h16H,5-15,18H2,1-4H3.
What are the key properties of 12-ethoxy-2,12-dimethyltridecan-1-amine?
12-ethoxy-2,12-dimethyltridecan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.91, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethoxy-2,12-dimethyltridecan-1-amine is sourced from PubChem (CID 150200796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).