3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine

C19H41NO — CID 150273331

IUPAC3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine
SMILESCCCCCCCCC(OCCCN)C(C)(C)C(C)(C)C
InChIInChI=1S/C19H41NO/c1-7-8-9-10-11-12-14-17(21-16-13-15-20)19(5,6)18(2,3)4/h17H,7-16,20H2,1-6H3
InChIKeyGEAKRYZPOAHZEP-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.54
Rot. Bonds12

About 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine

3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine (PubChem CID 150273331) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine.

Molecular Properties

Compound Name3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine
PubChem CID150273331
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine
SMILESCCCCCCCCC(OCCCN)C(C)(C)C(C)(C)C
InChIInChI=1S/C19H41NO/c1-7-8-9-10-11-12-14-17(21-16-13-15-20)19(5,6)18(2,3)4/h17H,7-16,20H2,1-6H3
InChIKeyGEAKRYZPOAHZEP-UHFFFAOYSA-N
XLogP5.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.54
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

3-decoxy-2,2-dimethyltridecan-1-ol
CID 175424630
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
4,4-dioctadecoxybutan-1-amine
CID 87498240
2-decoxy-1,1,1-tripropoxydecane
CID 161487302
3-pentoxyhexadecan-1-amine
CID 153320725
3-methyl-2,3-dioctadecoxybutan-1-amine
CID 146317626
1-bromo-2-fluoro-4-(2,2,3,3-tetramethyldodecan-4-yloxymethyl)benzene
CID 151498837
2-(hydroxymethyl)-2-(1-pentoxyhexyl)propane-1,3-diol
CID 87525337
1-decoxy-2-heptoxy-2-hexoxy-1-nonoxy-1-octoxy-3-pentoxyundecane
CID 141115590
titanium;1,1,2-triheptoxyheptan-1-ol
CID 88526182
1-pentoxybutane-1,4-diamine
CID 141071878
2-dodecan-5-yloxyethanamine
CID 18672808

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine?
The IUPAC name of 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine (CID 150273331) is 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine.
What is the SMILES notation for 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine?
The canonical SMILES for 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine is CCCCCCCCC(OCCCN)C(C)(C)C(C)(C)C.
What is the InChIKey of 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine?
The InChIKey is GEAKRYZPOAHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-7-8-9-10-11-12-14-17(21-16-13-15-20)19(5,6)18(2,3)4/h17H,7-16,20H2,1-6H3.
What are the key properties of 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine?
3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetramethyldodecan-4-yloxy)propan-1-amine is sourced from PubChem (CID 150273331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).