(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol

C₁₇H₂₉NO — CID 143361098

About (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol

(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol (PubChem CID 143361098) has the molecular formula C₁₇H₂₉NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol.

Molecular Properties

• Compound Name: (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol
• PubChem CID: 143361098
• Molecular Formula: C₁₇H₂₉NO
• Molecular Weight: 263.43 g/mol
• Exact Mass: 263.22
• IUPAC Name: (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol
• SMILES: CCC(C)C(N)/C=C(/O)C1C=CC(C(C)C)=CC1C
• InChI: InChI=1S/C17H29NO/c1-6-12(4)16(18)10-17(19)15-8-7-14(11(2)3)9-13(15)5/h7-13,15-16,19H,6,18H2,1-5H3/b17-10+
• InChIKey: BKIBUDXGZAOPFB-LICLKQGHSA-N
• XLogP: 4.21
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.43
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol?

The IUPAC name of (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol (CID 143361098) is (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol.

What is the SMILES notation for (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol?

The canonical SMILES for (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol is CCC(C)C(N)/C=C(/O)C1C=CC(C(C)C)=CC1C.

What is the InChIKey of (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol?

The InChIKey is BKIBUDXGZAOPFB-LICLKQGHSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-12(4)16(18)10-17(19)15-8-7-14(11(2)3)9-13(15)5/h7-13,15-16,19H,6,18H2,1-5H3/b17-10+.

What are the key properties of (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol?

(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol has a molecular weight of 263.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol is sourced from PubChem (CID 143361098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143361098 — identifiers, structure, computed properties (public domain)

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