2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine

C21H45NO — CID 134480060

IUPAC2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine
SMILESCCCC(CCC(C)CC)(CCC(C)(C)C)NCCOC(C)C
InChIInChI=1S/C21H45NO/c1-9-12-21(13-11-19(5)10-2,15-14-20(6,7)8)22-16-17-23-18(3)4/h18-19,22H,9-17H2,1-8H3
InChIKeyQUNBTWPWLONTGP-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.19
Rot. Bonds13

About 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine

2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine (PubChem CID 134480060) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine.

Molecular Properties

Compound Name2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine
PubChem CID134480060
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC Name2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine
SMILESCCCC(CCC(C)CC)(CCC(C)(C)C)NCCOC(C)C
InChIInChI=1S/C21H45NO/c1-9-12-21(13-11-19(5)10-2,15-14-20(6,7)8)22-16-17-23-18(3)4/h18-19,22H,9-17H2,1-8H3
InChIKeyQUNBTWPWLONTGP-UHFFFAOYSA-N
XLogP6.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.19
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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Frequently Asked Questions

What is the IUPAC name of 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine?
The IUPAC name of 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine (CID 134480060) is 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine.
What is the SMILES notation for 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine?
The canonical SMILES for 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine is CCCC(CCC(C)CC)(CCC(C)(C)C)NCCOC(C)C.
What is the InChIKey of 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine?
The InChIKey is QUNBTWPWLONTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-9-12-21(13-11-19(5)10-2,15-14-20(6,7)8)22-16-17-23-18(3)4/h18-19,22H,9-17H2,1-8H3.
What are the key properties of 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine?
2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine has a molecular weight of 327.60 g/mol, XLogP of 6.19, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-N-(2-propan-2-yloxyethyl)-5-propyldecan-5-amine is sourced from PubChem (CID 134480060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).