7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine

C28H57N — CID 90984282

IUPAC7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine
SMILESCCCC(CC)(CC(C)=CC(C(C)CC)C(CC)(CC)C(C)(CC)CC)C(C)N
InChIInChI=1S/C28H57N/c1-12-19-27(16-5,24(10)29)21-22(8)20-25(23(9)13-2)28(17-6,18-7)26(11,14-3)15-4/h20,23-25H,12-19,21,29H2,1-11H3
InChIKeyFZKXDENGARBIIF-UHFFFAOYSA-N
MW407.77 g/mol
LogP9.16
Rot. Bonds15

About 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine

7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine (PubChem CID 90984282) has the molecular formula C28H57N and a molecular weight of 407.77 g/mol. Its IUPAC name is 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine.

Molecular Properties

Compound Name7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine
PubChem CID90984282
Molecular FormulaC28H57N
Molecular Weight407.77 g/mol
Exact Mass407.45
IUPAC Name7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine
SMILESCCCC(CC)(CC(C)=CC(C(C)CC)C(CC)(CC)C(C)(CC)CC)C(C)N
InChIInChI=1S/C28H57N/c1-12-19-27(16-5,24(10)29)21-22(8)20-25(23(9)13-2)28(17-6,18-7)26(11,14-3)15-4/h20,23-25H,12-19,21,29H2,1-11H3
InChIKeyFZKXDENGARBIIF-UHFFFAOYSA-N
XLogP9.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.77
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine with MolForge

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Related Compounds

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Menthenamine
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gamma,4-Dimethylcyclohexene-1-propan-1-amine
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CID 143703538
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CID 144405281
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2-[[1-Ethyl-5-methyl-2-(3-methylcyclopentyl)cyclopent-2-en-1-yl]methyl]-1,1,1-trifluoroheptan-4-amine
CID 166734932
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-amine
CID 245838
3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nonan-1-amine
CID 445984
(6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-6,8-dien-1-amine
CID 446717

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine?
The IUPAC name of 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine (CID 90984282) is 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine.
What is the SMILES notation for 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine?
The canonical SMILES for 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine is CCCC(CC)(CC(C)=CC(C(C)CC)C(CC)(CC)C(C)(CC)CC)C(C)N.
What is the InChIKey of 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine?
The InChIKey is FZKXDENGARBIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N/c1-12-19-27(16-5,24(10)29)21-22(8)20-25(23(9)13-2)28(17-6,18-7)26(11,14-3)15-4/h20,23-25H,12-19,21,29H2,1-11H3.
What are the key properties of 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine?
7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine has a molecular weight of 407.77 g/mol, XLogP of 9.16, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-3,8,8,9-tetraethyl-5,9-dimethyl-3-propylundec-5-en-2-amine is sourced from PubChem (CID 90984282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).