6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine

C24H48N2O — CID 144786283

IUPAC6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine
SMILESC=C(NCCC(C)(C)CCC(C)(C)OC(C)(N)CC(C)(C)C(=C)C)C(C)C
InChIInChI=1S/C24H48N2O/c1-18(2)20(5)26-16-15-21(6,7)13-14-23(10,11)27-24(12,25)17-22(8,9)19(3)4/h18,26H,3,5,13-17,25H2,1-2,4,6-12H3
InChIKeyQPFAGUSDCYODAL-UHFFFAOYSA-N
MW380.66 g/mol
LogP6.40
Rot. Bonds13

About 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine

6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine (PubChem CID 144786283) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine.

Molecular Properties

Compound Name6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine
PubChem CID144786283
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine
SMILESC=C(NCCC(C)(C)CCC(C)(C)OC(C)(N)CC(C)(C)C(=C)C)C(C)C
InChIInChI=1S/C24H48N2O/c1-18(2)20(5)26-16-15-21(6,7)13-14-23(10,11)27-24(12,25)17-22(8,9)19(3)4/h18,26H,3,5,13-17,25H2,1-2,4,6-12H3
InChIKeyQPFAGUSDCYODAL-UHFFFAOYSA-N
XLogP6.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine?
The IUPAC name of 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine (CID 144786283) is 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine.
What is the SMILES notation for 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine?
The canonical SMILES for 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine is C=C(NCCC(C)(C)CCC(C)(C)OC(C)(N)CC(C)(C)C(=C)C)C(C)C.
What is the InChIKey of 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine?
The InChIKey is QPFAGUSDCYODAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O/c1-18(2)20(5)26-16-15-21(6,7)13-14-23(10,11)27-24(12,25)17-22(8,9)19(3)4/h18,26H,3,5,13-17,25H2,1-2,4,6-12H3.
What are the key properties of 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine?
6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine has a molecular weight of 380.66 g/mol, XLogP of 6.40, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4,4,5-trimethylhex-5-en-2-yl)oxy-3,3,6-trimethyl-N-(3-methylbut-1-en-2-yl)heptan-1-amine is sourced from PubChem (CID 144786283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).